SCHEMBL9967897

SCHEMBL9967897

CCC(C)CCC(O)c1cc(C)cc(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.43
RRM1 P23921 1/20 0.43
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALOX5 P09917 1/20 0.40
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TSPO P30536 1/20 0.39

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
SCHEMBL9967898 0.84 LTA4H (0.46) GRM5RRM1MEN1KMT2AALOX5
SCHEMBL9967892 0.82 GRM5 (0.47) GRM5RRM1LMNAMEN1KMT2A
SCHEMBL10477980 0.74 KMT2A (0.50) RRM1LMNAL3MBTL1MEN1KMT2A
SCHEMBL1072784 0.74 GRM5 (0.62) GRM5LMNAL3MBTL1MEN1KMT2A
SCHEMBL13841458 0.74 GRM5 (0.62) GRM5LMNAL3MBTL1MEN1KMT2A
SCHEMBL31185833 0.73 RRM1 (0.57) RRM1LMNAMEN1KMT2AALOX5
SCHEMBL4568931 0.72 KMT2A (0.54) LMNAMEN1KMT2AALOX5
SCHEMBL30994413 0.72 CYP1A2 (0.58) GRM5LMNAMEN1KMT2AALOX5
SCHEMBL4516341 0.72 CYP1A2 (0.58) GRM5LMNAMEN1KMT2AALOX5
SCHEMBL4596162 0.72 KMT2A (0.57) LMNAMEN1KMT2AALOX5

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 615/4885RRM1 395/4885LMNA 3712/4885
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 615/4885RRM1 395/4885LMNA 3712/4885
US-20150157580-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 GRM5 83/4885RRM1 2961/4885LMNA 4009/4885
US-20180042867-A1 METHODS OF TREATING CANCER GPR55, ADRB2, GRK2 GRM5 65/4885RRM1 3003/4885LMNA 3722/4885
US-20130005799-A1 THE USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A GRM5 189/4885RRM1 1270/4885LMNA 4362/4885
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 615/4885RRM1 395/4885LMNA 3712/4885
US-20170172945-A1 METHODS OF TREATING BREAST CANCER CNR2, ADRB2, CNR1 GRM5 489/4885RRM1 3547/4885LMNA 4027/4885
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 615/4885RRM1 395/4885LMNA 3712/4885
US-20170172944-A1 METHODS OF TREATING MELANOMA CNR2, ADRB2, CNR1 GRM5 746/4885RRM1 2973/4885LMNA 3319/4885
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 615/4885RRM1 395/4885LMNA 3712/4885
US-20160331702-A1 METHODS OF REGULATING CANNABINOID RECEPTOR ACTIVITY-RELATED DISORDERS AND DISEASES CNR1, CNR2, GPR68 GRM5 83/4885RRM1 2961/4885LMNA 4009/4885
US-20170007556-A1 USE OF FENOTEROL AND FENOTEROL ANALOGUES IN THE TREATMENT OF GLIOBLASTOMAS AND ASTROCYTOMAS ADRB2, ADRB1, ADRA2A GRM5 177/4885RRM1 1285/4885LMNA 4405/4885

“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.