SCHEMBL971003

SCHEMBL971003

COC(C)C(=O)C=C(O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.49
NR4A2 P43354 1/20 0.49
NR4A3 Q92570 1/20 0.49
CES2 O00748 2/20 0.43
CES1 P23141 2/20 0.43
SRD5A2 P31213 1/20 0.42
GSK3B P49841 2/20 0.41
CYP1A1 P04798 5/20 0.41
CYP1B1 Q16678 5/20 0.41
MAOB P27338 2/20 0.41
PTPN1 P18031 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
CXCL12 P48061 1/20 0.37

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
SCHEMBL12921443 1.00 NR4A1 (0.49) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL971002 1.00 NR4A1 (0.49) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL12444423 0.85 NR4A1 (0.60) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL26147577 0.76 NR4A1 (0.64) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL4285935 0.76 ALDH1A1 (0.67) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL8364647 0.76 ALDH1A1 (0.67) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL8364646 0.76 ALDH1A1 (0.67) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL970477 0.75 CYP1A1 (0.46) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL970479 0.75 CYP1A1 (0.46) NR4A1NR4A2NR4A3CES2CES1
SCHEMBL970954 0.75 NR4A1 (0.50) NR4A1NR4A2NR4A3CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703793-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-04-22 US disclosed
EP-2268644-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
US-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2268644-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2011-01-05 EP disclosed
WO-2009109549-A1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-11 WO 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 (1 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-20110021550-A1 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation COQ8A, TNNT2, TBXA2R NR4A1 206/4885NR4A2 816/4885NR4A3 748/4885

“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.