SCHEMBL11933152

SCHEMBL11933152

CCCCOc1ccc(-c2ccc(C3CC=C(c4ccc(C)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 2/20 0.34
▸ CDK9 P50750 2/20 0.34
▸ RARB P10826 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ FFAR1 O14842 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ FPR2 P25090 1/20 0.30
▸ PPARD Q03181 2/20 0.30
▸ PPARA Q07869 2/20 0.30
▸ PPARG P37231 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
SCHEMBL11933151 0.95 FPR2 (0.34) CCNT1CDK9FFAR1FFAR4FPR2
SCHEMBL11933137 0.94 CCNT1 (0.34) CCNT1CDK9RARBSCN9AFPR2
SCHEMBL15381668 0.94 CCNT1 (0.34) CCNT1CDK9RARBSCN9AFFAR1
SCHEMBL11933149 0.93 FGFR1 (0.33) CCNT1CDK9FPR2
SCHEMBL10301647 0.90 SCN9A (0.30) SCN9A
SCHEMBL12196663 0.90 SCN9A (0.30) SCN9A
SCHEMBL12196505 0.90 SCN9A (0.30) SCN9A
SCHEMBL11933136 0.89 FPR2 (0.35) CCNT1CDK9FFAR1FFAR4FPR2
SCHEMBL11933143 0.89 — —
SCHEMBL11933133 0.89 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580147-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 — — US disclosed
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 CCNT1 16/4885CDK9 575/4885RARB 1251/4885

“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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