SCHEMBL9970987

SCHEMBL9970987

CCCCOc1cc(OCCCC)cc(C(C)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 2/20 0.64
L3MBTL1 Q9Y468 1/20 0.58
GAA P10253 1/20 0.56
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
PLA2G4B P0C869 2/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
BLM P54132 1/20 0.47
RARB P10826 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11387851 0.94 PLA2G2A (0.72) PLA2G2AL3MBTL1GAATP53TSHR
SCHEMBL9402858 0.93 PLA2G2A (0.75) PLA2G2AL3MBTL1GAATP53TSHR
SCHEMBL10497457 0.93 PLA2G2A (0.75) PLA2G2AL3MBTL1GAATP53TSHR
SCHEMBL10498963 0.93 PLA2G2A (0.75) PLA2G2AL3MBTL1GAATP53TSHR
SCHEMBL19565362 0.93 PLA2G2A (0.75) PLA2G2AL3MBTL1GAATP53TSHR
SCHEMBL9702910 0.90 PLA2G2A (0.56) PLA2G2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL21110477 0.86 KMT2A (0.54) PLA2G2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL10830829 0.85 PLA2G2A (0.86) PLA2G2ATP53TSHRPLA2G4BRARB
SCHEMBL17531343 0.85 L3MBTL1 (0.53) PLA2G2AL3MBTL1GAAALDH1A1MAPT
SCHEMBL16471652 0.83 L3MBTL1 (0.56) PLA2G2AL3MBTL1GAATP53ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104974135-B Targeting DNA has the Sai-Mi-Xi-Bu derivative containing benzene-naphthalene diimide structure of antitumor activity, pharmaceutical composition and its preparation method and application 河北大学 2017-03-08 CN claimed
US-20170172945-A1 METHODS OF TREATING BREAST CANCER MITCHELL WOODS PHARMACEUTICALS INC (US) 2017-06-22 US disclosed
US-20170172944-A1 METHODS OF TREATING MELANOMA MITCHELL WOODS PHARMACEUTICALS INC (US) 2017-06-22 US disclosed
US-20170081276-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2017-03-23 US disclosed
CN-104974135-B Targeting DNA has the Sai-Mi-Xi-Bu derivative containing benzene-naphthalene diimide structure of antitumor activity, pharmaceutical composition and its preparation method and application 河北大学 2017-03-08 CN disclosed
US-20170007556-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2017-01-12 US disclosed
US-9522871-B2 Preparation of (R,R)-fenoterol and (R,R)-or (R,S)-fenoterol analogues and their use in treating congestive heart failure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-12-20 US disclosed
US-20160331702-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERV (US) 2016-11-17 US disclosed
US-9492405-B2 Use of fenoterol and fenoterol analogues in the treatment of glioblastomas and astrocytomas THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-11-15 US disclosed
WO-2016144371-A1 METHODS OF TREATING CANCER MITCHELL WOODS PHARMACEUTICALS, INC. (US) 2016-09-15 WO disclosed
WO-2015153725-A2 METHODS OF TREATING MELANOMA MITCHELL WOODS PHARMACEUTICALS, INC. (US) 2015-10-08 WO disclosed
WO-2015153719-A2 METHODS OF TREATING BREAST CANCER MITCHELL WOODS PHARMACEUTICALS, INC. (US) 2015-10-08 WO disclosed
US-20150157580-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2015-06-11 US disclosed
WO-2015016729-A1 UREA COMPOUNDS AND THEIR USE AS FAAH ENZYME INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2015-02-05 WO disclosed
US-20140187645-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2014-07-03 US disclosed
US-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS SRI INTERNATIONAL 2013-01-03 US disclosed
US-20120157543-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE Services, National Institutes of Health 2012-06-21 US disclosed
US-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2010-07-01 US disclosed
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 EP disclosed
US-4245093-A BY BROMINATION OF ALKANOYLOXYACETOPHENONES POST-TREATED WITH A TRIALKYL PHOSPHITE INHIBITS POLYBROMINATED BY-PRODUCTS DEUTSCHE GOLD- UND SILBER-SCHEIDEANSTALT VORMALS ROESSLER (DE) 1981-01-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150157580-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 PLA2G2A 443/4885L3MBTL1 2392/4885GAA 2543/4885
US-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A PLA2G2A 850/4885L3MBTL1 4159/4885GAA 3967/4885
US-20120157543-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 PLA2G2A 1358/4885L3MBTL1 2823/4885GAA 3852/4885
US-20170172945-A1 METHODS OF TREATING BREAST CANCER CNR2, ADRB2, CNR1 PLA2G2A 595/4885L3MBTL1 3304/4885GAA 3840/4885
US-20170081276-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)- OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 PLA2G2A 1358/4885L3MBTL1 2823/4885GAA 3852/4885
US-20170172944-A1 METHODS OF TREATING MELANOMA CNR2, ADRB2, CNR1 PLA2G2A 508/4885L3MBTL1 3073/4885GAA 3216/4885
US-20100168245-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 PLA2G2A 1358/4885L3MBTL1 2823/4885GAA 3852/4885
US-20140187645-A1 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 PLA2G2A 1358/4885L3MBTL1 2823/4885GAA 3852/4885
US-20160331702-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 PLA2G2A 443/4885L3MBTL1 2392/4885GAA 2543/4885
US-20170007556-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A PLA2G2A 1024/4885L3MBTL1 4028/4885GAA 4165/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.