SCHEMBL4112243

SCHEMBL4112243

COc1ccc(CNc2ccc(Br)cc2C(O)c2cccc(OC)c2OC)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
ABCB1 P08183 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.41
APLNR P35414 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
TSHR P16473 10/20 0.41
CYP1A2 P05177 10/20 0.41
CYP3A4 P08684 10/20 0.41
CYP2C19 P33261 9/20 0.41
CYP2D6 P10635 8/20 0.41
ALDH1A1 P00352 7/20 0.41
CLK4 Q9HAZ1 6/20 0.41
HSD17B10 Q99714 5/20 0.41
CYP2C9 P11712 5/20 0.41
MAPK1 P28482 3/20 0.40
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL4114269 0.90 TAS1R3 (0.44) TAS1R3TAS1R1APLNRKDM4CTSHR
SCHEMBL4111526 0.89 TAS1R3 (0.43) TAS1R3TAS1R1APLNRKDM4CTSHR
SCHEMBL4130386 0.89 TAS1R3 (0.44) TAS1R3TAS1R1ABCB1ABCG2APLNR
SCHEMBL4119420 0.89 TSHR (0.51) TAS1R3TAS1R1ABCB1ABCG2APLNR
SCHEMBL4121857 0.88 TAS1R3 (0.44) TAS1R3TAS1R1ABCB1ABCG2APLNR
SCHEMBL13775822 0.85 TAS1R3 (0.42) TAS1R3TAS1R1ABCB1ABCG2APLNR
SCHEMBL13775827 0.85 TAS1R3 (0.42) TAS1R3TAS1R1ABCB1ABCG2APLNR
SCHEMBL4110976 0.83 TAS1R3 (0.44) TAS1R3TAS1R1ABCB1ABCG2APLNR
SCHEMBL4122598 0.82 TAS1R3 (0.42) TAS1R3TAS1R1ABCB1ABCG2APLNR
SCHEMBL4123181 0.82 TAS1R3 (0.42) TAS1R3TAS1R1APLNRKDM4CTSHR

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 2624/4885ABCB1 788/4885

“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.