SCHEMBL11933114

SCHEMBL11933114

CCOc1ccc(-c2ccc(C3=CCC(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.32
▸ FGFR2 P21802 2/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ PDE5A O76074 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 0.31
▸ S1PR1 P21453 3/20 0.30
▸ FPR2 P25090 1/20 0.30
▸ S1PR2 O95136 1/20 0.30
▸ S1PR4 O95977 1/20 0.30
▸ S1PR3 Q99500 1/20 0.30
▸ S1PR5 Q9H228 1/20 0.30
▸ CCNT1 O60563 1/20 0.30
▸ CDK9 P50750 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
SCHEMBL15381512 0.95 NAAA (0.34) NAAAFGFR2FGFR1PDE5AHDAC1
SCHEMBL11933134 0.94 FPR2 (0.32) FPR2CCNT1CDK9
SCHEMBL11933135 0.93 CCNT1 (0.32) CCNT1CDK9
SCHEMBL11933116 0.92 FPR2 (0.34) NAAAFGFR2FGFR1FPR2CCNT1
SCHEMBL11933478 0.90 NAAA (0.37) NAAA
SCHEMBL15381556 0.90 PDE5A (0.32) NAAAFGFR2FGFR1PDE5AHDAC1
SCHEMBL11933140 0.89 FPR2 (0.32) FPR2CCNT1CDK9
SCHEMBL11933104 0.89 FPR2 (0.32) FPR2CCNT1CDK9
SCHEMBL10008708 0.88 FPR2 (0.32) NAAAPDE5AHDAC1HDAC6FPR2
SCHEMBL10301574 0.88 CCNT1 (0.31) FPR2CCNT1CDK9

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 NAAA 4102/4885FGFR2 310/4885FGFR1 136/4885

“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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