SCHEMBL4287985

SCHEMBL4287985

COc1[c]c(Cl)c(-c2cccc(O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 4/20 0.40
HSD17B1 P14061 8/20 0.39
HSD17B2 P37059 7/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
BMPR1A P36894 1/20 0.38
TGFBR1 P36897 1/20 0.38
ACVRL1 P37023 1/20 0.38
ACVR1 Q04771 1/20 0.38
PELI1 Q96FA3 2/20 0.36
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
TSHR P16473 1/20 0.35
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4283043 0.83 FYN (0.41) FYNHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL4274924 0.79 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL4279203 0.77 HSD17B1 (0.36) FYNHSD17B1HSD17B2KDM1AESR1
SCHEMBL4288205 0.76 HSD17B1 (0.42) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL15637495 0.70 PDCD1LG2 (0.34)
SCHEMBL6536009 0.70 FYN (0.52) FYNHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL4277685 0.70 PDE10A (0.41)
SCHEMBL30112758 0.70 CYP3A4 (0.52) FYNHSD17B1HSD17B2CYP3A4CYP2C9
SCHEMBL4275992 0.69 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ACVR1
SCHEMBL16720390 0.68 HSD17B1 (0.48) FYNHSD17B1HSD17B2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP disclosed
US-20090176307-A1 Compounds, Compositions and Methods CYTOKINETICS, INC. 2009-07-09 US disclosed
US-7491826-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2009-02-17 US disclosed
US-7399866-B2 Compounds, compositions, and methods CYTOKINETICS, INC. (US) 2008-07-15 US disclosed
US-20060241110-A1 Compounds, compositions, and methods CYTOKINETICS, INCORPORATED 2006-10-26 US disclosed
US-20050159416-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2005-07-21 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 (2 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-20060241110-A1 Compounds, compositions, and methods TNNI3, TNNT2, TNNC1 FYN 4558/4885HSD17B1 4412/4885HSD17B2 4480/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 FYN 4550/4885HSD17B1 4420/4885HSD17B2 4474/4885

“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.