SCHEMBL8476599

SCHEMBL8476599

OCc1cccc(-c2ccc(O)cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
PRKCI P41743 1/20 0.63
FGFR1 P11362 3/20 0.63
MMP3 P08254 2/20 0.62
HSD17B1 P14061 2/20 0.59
HSD17B2 P37059 2/20 0.59
ACMSD Q8TDX5 1/20 0.57
ABL1 P00519 2/20 0.55
ABCB1 P08183 2/20 0.55
BCR P11274 2/20 0.55
ESR2 Q92731 2/20 0.53
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
BCL2L1 Q07817 1/20 0.50
FGFR2 P21802 1/20 0.47
FGFR3 P22607 1/20 0.47
AGXT P21549 1/20 0.46

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
SCHEMBL18297788 0.89 PRKCI (0.76) PRKCIFGFR1MMP3HSD17B1HSD17B2
SCHEMBL16578698 0.87 PRKCI (0.68) ESR1MEN1KMT2APRKCIFGFR1
SCHEMBL4191589 0.87 PRKCI (0.72) PRKCIFGFR1ACMSDCYP2C9AGXT
SCHEMBL14568511 0.85 HSD17B1 (0.60) ESR1PRKCIFGFR1MMP3HSD17B1
SCHEMBL3007832 0.85 ESR1 (0.67) ESR1PRKCIFGFR1MMP3HSD17B1
SCHEMBL249824 0.85 PRKCI (0.70) PRKCIFGFR1ACMSDAGXT
SCHEMBL30108284 0.85 PRKCI (0.70) PRKCIFGFR1ACMSDAGXT
SCHEMBL23750160 0.83 PRKCI (0.63) ESR1MEN1KMT2APRKCIFGFR1
SCHEMBL28011375 0.83 FGFR1 (0.49) ESR1MEN1KMT2APRKCIFGFR1
Benzyl Alcohol SCHEMBL28229622 0.83 MMP3 (0.68) ESR1MEN1KMT2AFGFR1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9139548-B2 Polycyclic derivatives, preparation process and pharmaceutical use thereof JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-09-22 US disclosed
US-20150005282-A1 POLYCYCLIC DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2015-01-01 US disclosed
WO-2013104257-A1 POLYCYCLIC DERIVATIVES, PREPARATION METHOD AND MEDICAL USES THEREOF 江苏恒瑞医药股份有限公司 (CN) 2013-07-18 WO disclosed
WO-2007034325-A1 CARBOXAMIDE DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2007-03-29 WO disclosed
US-5977105-A Compounds ASTRA PHARMAEUTICALS LTD. (GB) 1999-11-02 US disclosed
EP-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 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-20150005282-A1 POLYCYCLIC DERIVATIVES, PREPARATION PROCESS AND PHARMACEUTICAL USE THEREOF GPR119, GPR55, GPR65 ESR1 432/4885MEN1 1941/4885KMT2A 4205/4885

“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.