SCHEMBL11933271

SCHEMBL11933271

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 9/20 0.33
▸ CDK9 P50750 9/20 0.33
▸ NAAA Q02083 2/20 0.33
▸ PDE5A O76074 2/20 0.33
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC6 Q9UBN7 2/20 0.33
▸ SCN9A Q15858 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.30
▸ KDM1A O60341 1/20 0.30
▸ SSTR5 P35346 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
SCHEMBL15381530 0.96 NAAA (0.35) CCNT1CDK9NAAAPDE5AHDAC1
SCHEMBL11933273 0.94 CCNT1 (0.33) CCNT1CDK9NAAAPDE5AHDAC1
SCHEMBL11933274 0.94 RARB (0.34) CCNT1CDK9NAAAPDE5AHDAC1
SCHEMBL11933275 0.93 CCNT1 (0.33) CCNT1CDK9NAAASCN9AKDM1A
SCHEMBL15381623 0.91 RARA (0.36) CCNT1CDK9NAAAPDE5AHDAC1
SCHEMBL11933267 0.90 CCNT1 (0.34) CCNT1CDK9
SCHEMBL11933359 0.90 CCNT1 (0.34) CCNT1CDK9
SCHEMBL11939030 0.89 PDE5A (0.32) CCNT1CDK9NAAAPDE5AHDAC1
SCHEMBL11933366 0.89 NAAA (0.37) CCNT1CDK9NAAASCN9AKDM1A
SCHEMBL15381680 0.89 NAAA (0.35) CCNT1CDK9NAAA

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 575/4885NAAA 4102/4885

“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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