SCHEMBL4281937

SCHEMBL4281937

Oc1cccc(-c2cc[c]c(Cl)c2Cl)c1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 15/20 0.48
HSD17B2 P37059 14/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2C9 P11712 2/20 0.48
ESR1 P03372 3/20 0.42
ESR2 Q92731 3/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2B6 P20813 1/20 0.42
CYP2C19 P33261 1/20 0.42
TSHR P16473 1/20 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
SCHEMBL4289108 0.83 HSD17B1 (0.41) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL4275992 0.81 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL6207069 0.77 CYP2A6 (0.43) ESR2CYP1A2
SCHEMBL4275562 0.76 HSD17B1 (0.48) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL27475804 0.76 CYP2A6 (0.41) ESR2CYP1A2
SCHEMBL5967116 0.74 AHR (0.59)
SCHEMBL4284888 0.74 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL4276246 0.73 GAPDH (0.46) CYP3A4
SCHEMBL9988071 0.73 TSHR (0.46) HSD17B1HSD17B2CYP3A4CYP2C9ESR2
SCHEMBL7281746 0.73 ALDH1A1 (0.47) TSHR

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 4480/4885CYP3A4 4637/4885
US-20050159416-A1 Compounds, compositions and methods TNNI3, TNNC1, TNNT2 HSD17B1 4420/4885HSD17B2 4474/4885CYP3A4 4703/4885

“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.