SCHEMBL11939159

SCHEMBL11939159

Oc1ccc(-c2ccc(C3=CCC(c4ccc(O)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.33
▸ ESR2 Q92731 1/20 0.32
▸ CYP17A1 P05093 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ CYP11B1 P15538 2/20 0.31
▸ CYP11B2 P19099 2/20 0.31
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL11939763 0.91 HSD17B1 (0.33) HSD17B1CYP17A1CYP3A4CYP11B1CYP11B2
SCHEMBL11939199 0.86 STS (0.30) ALOX5APFEN1
SCHEMBL11939004 0.86 STS (0.30) ALOX5APFEN1
SCHEMBL12223294 0.85 ALOX5AP (0.30) ALOX5APFEN1
SCHEMBL11939005 0.84 CYP17A1 (0.34) HSD17B1ESR2CYP17A1CYP3A4CYP11B1
SCHEMBL12222818 0.82 ALOX5AP (0.32) ALOX5APFEN1
SCHEMBL15381512 0.81 NAAA (0.34) —
SCHEMBL12836026 0.81 FPR2 (0.35) —
SCHEMBL12223931 0.79 HTR2C (0.33) —
SCHEMBL11939141 0.79 ESR2 (0.32) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — 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 (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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 HSD17B1 417/4885ESR2 2410/4885CYP17A1 858/4885

“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.

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