SCHEMBL11939014

SCHEMBL11939014

CCOc1ccc(-c2ccc(C3=CCC(OCc4ccc(O)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.33
▸ CCNT1 O60563 4/20 0.33
▸ CDK9 P50750 4/20 0.33
▸ ESR1 P03372 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.30
▸ L3MBTL1 Q9Y468 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
SCHEMBL11939216 1.00 NAAA (0.33) NAAACCNT1CDK9ESR1KDM4E
SCHEMBL15381754 0.94 NAAA (0.36) NAAACCNT1CDK9ESR1
SCHEMBL11939840 0.90 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL11939884 0.90 KDM4E (0.33) KDM4EL3MBTL1
SCHEMBL12836546 0.90 CCNT1 (0.37) NAAACCNT1CDK9KDM4E
SCHEMBL11933312 0.89 CTSL (0.39) NAAACCNT1CDK9
SCHEMBL15381641 0.89 NAAA (0.34) NAAACCNT1CDK9KDM4E
SCHEMBL15381606 0.89 NAAA (0.34) NAAACCNT1CDK9KDM4E
SCHEMBL11933215 0.89 CCNT1 (0.35) NAAACCNT1CDK9
SCHEMBL11933213 0.89 CTSL (0.39) 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 3 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
EP-2479162-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2012-07-25 — — EP 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 4102/4885CCNT1 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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