SCHEMBL9967892

SCHEMBL9967892

Cc1cc(OCc2ccccc2)cc(C(O)CBr)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.43
RRM1 P23921 1/20 0.43
TACR1 P25103 1/20 0.42
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ALOX5 P09917 2/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3923237 0.90 KMT2A (0.53) KMT2ASMN1; SMN2MEN1RRM1LMNA
SCHEMBL13840614 0.90 KMT2A (0.53) KMT2ASMN1; SMN2MEN1RRM1LMNA
SCHEMBL9967898 0.83 LTA4H (0.46) GRM5KMT2AMEN1RRM1ALOX5
SCHEMBL3443080 0.82 KMT2A (0.58) KMT2ASMN1; SMN2MEN1LMNAALOX5
SCHEMBL9967897 0.82 GRM5 (0.43) GRM5KMT2AMEN1RRM1LMNA
SCHEMBL8130530 0.79 BRD4 (0.38) KMT2AMEN1PTGS2HTT
SCHEMBL8482579 0.79 LMNA (0.58) SMN1; SMN2LMNACYP1A2PTGS1SLC6A2
SCHEMBL8481818 0.79 LMNA (0.58) SMN1; SMN2LMNACYP1A2PTGS1SLC6A2
SCHEMBL20175852 0.79 MEN1 (0.50) KMT2AMEN1LMNAMAOBBCHE
SCHEMBL13841458 0.78 GRM5 (0.62) GRM5KMT2ASMN1; SMN2MEN1LMNA

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180141894-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) 2018-05-24 US disclosed
US-9908841-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) 2018-03-06 US disclosed
US-20180042867-A1 METHODS OF TREATING CANCER MITCHELL WOODS PHARMACEUTICALS INC (US) 2018-02-15 US disclosed
US-20170172944-A1 METHODS OF TREATING MELANOMA MITCHELL WOODS PHARMACEUTICALS INC (US) 2017-06-22 US disclosed
US-20170172945-A1 METHODS OF TREATING BREAST CANCER 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
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
US-20160009636-A9 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) 2016-01-14 US 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
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

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

For each of this compound's patents that has machine-readable text (12 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-20180141894-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 GRM5 615/4885KMT2A 4127/4885SMN1; SMN2 3677/4885
US-20160009636-A9 PREPARATION OF (R,R)-FENOTEROL AND (R,R)-OR (R,S)-FENOTEROL ANALOGUES AND THEIR USE IN TREATING CONGESTIVE HEART FAILURE ADRB2, ADRB1, ADRB3 GRM5 615/4885KMT2A 4127/4885SMN1; SMN2 3677/4885
US-20150157580-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 GRM5 83/4885KMT2A 2950/4885SMN1; SMN2 3452/4885
US-20180042867-A1 METHODS OF TREATING CANCER GPR55, ADRB2, GRK2 GRM5 65/4885KMT2A 1391/4885SMN1; SMN2 2451/4885
US-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A GRM5 189/4885KMT2A 3241/4885SMN1; SMN2 2566/4885
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 GRM5 615/4885KMT2A 4127/4885SMN1; SMN2 3677/4885
US-20170172945-A1 METHODS OF TREATING BREAST CANCER CNR2, ADRB2, CNR1 GRM5 489/4885KMT2A 1919/4885SMN1; SMN2 4309/4885
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 GRM5 615/4885KMT2A 4127/4885SMN1; SMN2 3677/4885
US-20170172944-A1 METHODS OF TREATING MELANOMA CNR2, ADRB2, CNR1 GRM5 746/4885KMT2A 2392/4885SMN1; SMN2 3334/4885
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 GRM5 615/4885KMT2A 4127/4885SMN1; SMN2 3677/4885
US-20160331702-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 GRM5 83/4885KMT2A 2950/4885SMN1; SMN2 3452/4885
US-20170007556-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A GRM5 177/4885KMT2A 3251/4885SMN1; SMN2 2495/4885

“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.