SCHEMBL4122733

SCHEMBL4122733

COc1ccc(CNc2ccc(C)cc2C(O)c2cccc(OC)c2Cl)c(OC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
GAA P10253 3/20 0.43
TSHR P16473 13/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPK1 P28482 5/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
APLNR P35414 1/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
KDM4C Q9H3R0 1/20 0.41
LMNA P02545 5/20 0.40
MAPT P10636 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 11/20 0.39
CYP3A4 P08684 11/20 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
SCHEMBL4122265 0.91 TAS1R3 (0.44) TAS1R3TAS1R1GAATSHRALDH1A1
SCHEMBL4127861 0.90 TAS1R3 (0.44) TAS1R3TAS1R1GAATSHRALDH1A1
SCHEMBL4119081 0.90 TAS1R3 (0.45) TAS1R3TAS1R1GAATSHRALDH1A1
SCHEMBL4111526 0.89 TAS1R3 (0.43) TAS1R3TAS1R1GAATSHRALDH1A1
SCHEMBL4119420 0.89 TSHR (0.51) TAS1R3TAS1R1GAATSHRALDH1A1
SCHEMBL4117014 0.87 RXFP1 (0.43) TAS1R3TAS1R1GAATSHRALDH1A1
SCHEMBL14146192 0.84 GAA (0.38) TAS1R3TAS1R1GAAALDH1A1KDM4E
SCHEMBL4116863 0.84 TAS1R3 (0.44) TAS1R3TAS1R1GAATSHRALDH1A1
SCHEMBL4115101 0.84 TAS1R3 (0.41) TAS1R3TAS1R1GAATSHRALDH1A1
SCHEMBL4119617 0.83 TAS1R3 (0.49) TAS1R3TAS1R1GAATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP 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-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR TAS1R3 3354/4885TAS1R1 2624/4885GAA 922/4885

“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.