SCHEMBL11933447

SCHEMBL11933447

CCOc1ccc(COc2ccc(C3=CCC(c4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.36
▸ KDM1A O60341 2/20 0.32
▸ CCNT1 O60563 1/20 0.31
▸ CDK9 P50750 1/20 0.31
▸ FAAH O00519 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
SCHEMBL15381603 0.95 NAAA (0.39) NAAAKDM1ACCNT1CDK9FAAH
SCHEMBL11933478 0.94 NAAA (0.37) NAAA
SCHEMBL11933448 0.93 CCNT1 (0.33) NAAACCNT1CDK9
SCHEMBL11933449 0.92 S1PR4 (0.32) NAAACCNT1CDK9
SCHEMBL15381818 0.90 NAAA (0.35) NAAAKDM1ACCNT1CDK9
SCHEMBL11933419 0.90 NAAA (0.33) NAAA
SCHEMBL15381825 0.90 NAAA (0.40) NAAAKDM1AFAAH
SCHEMBL18175589 0.89 NAAA (0.35) NAAAKDM1ACCNT1CDK9
SCHEMBL11938893 0.88 NAAA (0.34) NAAAKDM1AFAAH
SCHEMBL11933479 0.88 RXRG (0.32) NAAACCNT1CDK9

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 4102/4885KDM1A 1622/4885CCNT1 16/4885

“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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