SCHEMBL4288205

SCHEMBL4288205

Oc1cccc(-c2ccc(F)[c]c2Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 16/20 0.42
HSD17B2 P37059 15/20 0.42
CYP3A4 P08684 3/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
PELI1 Q96FA3 1/20 0.39
TSHR P16473 1/20 0.38
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 2/20 0.37
ESR1 P03372 2/20 0.37
ESR2 Q92731 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2B6 P20813 1/20 0.37

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
SCHEMBL4279530 0.83 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9AKR1C3
SCHEMBL4274924 0.83 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9TSHR
SCHEMBL7814348 0.78 CYP2A6 (0.41) CYP2C9AKR1C3AKR1C2TSHRCYP2C19
SCHEMBL4287985 0.76 FYN (0.40) HSD17B1HSD17B2CYP3A4CYP2C9AKR1C3
SCHEMBL4275992 0.72 HSD17B1 (0.50) HSD17B1HSD17B2CYP3A4CYP2C9TSHR
SCHEMBL15286361 0.71 AHR (0.36) TSHRCYP1A2
SCHEMBL15636973 0.69 CA1 (0.32)
SCHEMBL4284888 0.69 HSD17B1 (0.45) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL38660243 0.69 HSD17B1 (0.67) HSD17B1HSD17B2CYP3A4CYP2C9PELI1
SCHEMBL28872831 0.68 TSHR (0.54) HSD17B1HSD17B2CYP3A4CYP2C9TSHR

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.