SCHEMBL4284985

SCHEMBL4284985

Cc1[c]ccc(-c2ccc(F)c(O)c2)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 5/20 0.38
HSD17B2 P37059 5/20 0.38
ESR2 Q92731 7/20 0.38
ESR1 P03372 6/20 0.38
AR P10275 1/20 0.37
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
KDM1A O60341 1/20 0.34
HSD17B14 Q9BPX1 2/20 0.33
ERCC1 P07992 1/20 0.33
ERCC4 Q92889 1/20 0.33
ALOX5 P09917 1/20 0.33
PIK3CA P42336 1/20 0.31

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
SCHEMBL4285266 0.84 HSD17B1 (0.40) HSD17B1HSD17B2ESR2ESR1AR
SCHEMBL4275611 0.79 MGAM (0.37) HSD17B1HSD17B2ARCA3CA6
SCHEMBL4289108 0.75 HSD17B1 (0.41) HSD17B1HSD17B2ESR2ESR1
SCHEMBL2376962 0.74 HSD17B1 (0.42) HSD17B1HSD17B2ESR2ESR1AR
SCHEMBL4280722 0.74 AR (0.39) HSD17B1HSD17B2ESR2ESR1AR
SCHEMBL4280979 0.73 HSD17B1 (0.45) HSD17B1HSD17B2ESR2ESR1AR
SCHEMBL4281627 0.71 PDK2 (0.40) PIK3CA
SCHEMBL5787045 0.70 ENPP1 (0.39) ESR2ESR1
SCHEMBL4279645 0.70 HSD17B1 (0.41) HSD17B1HSD17B2ESR2ESR1AR
SCHEMBL7469723 0.70 CYP2A6 (0.40) ESR2

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 HSD17B1 4412/4885HSD17B2 4480/4885ESR2 3909/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HSD17B1 4420/4885HSD17B2 4474/4885ESR2 3756/4885

“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.