SCHEMBL11933136

SCHEMBL11933136

CCCOc1ccc(-c2ccc(C3=CCC(c4ccc(C)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FPR2 P25090 5/20 0.35
▸ CCNT1 O60563 1/20 0.33
▸ CDK9 P50750 1/20 0.33
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 2/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ FFAR1 O14842 1/20 0.30
▸ PPARD Q03181 1/20 0.30
▸ FFAR4 Q5NUL3 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
SCHEMBL11933137 0.95 CCNT1 (0.34) FPR2CCNT1CDK9PPARD
SCHEMBL11933151 0.94 FPR2 (0.34) FPR2CCNT1CDK9GABRA1GABRB2
SCHEMBL11933116 0.94 FPR2 (0.34) FPR2CCNT1CDK9
SCHEMBL11933134 0.93 FPR2 (0.32) FPR2CCNT1CDK9FFAR4
SCHEMBL11933152 0.89 CCNT1 (0.34) FPR2CCNT1CDK9FFAR1PPARD
SCHEMBL15381584 0.89 FPR2 (0.33) FPR2CCNT1CDK9PPARD
SCHEMBL15381664 0.89 FPR2 (0.36) FPR2CCNT1CDK9
SCHEMBL11933135 0.88 CCNT1 (0.32) CCNT1CDK9
SCHEMBL10008126 0.87 FPR2 (0.33) FPR2CCNT1CDK9PPARD
SCHEMBL18175606 0.87 FPR2 (0.37) FPR2CCNT1CDK9HTR2CPPARD

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 FPR2 804/4885CCNT1 16/4885CDK9 575/4885

“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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