SCHEMBL11939015

SCHEMBL11939015

CCOc1ccc(-c2ccc(C3=CCC(OCc4ccc(C(C)O)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 5/20 0.40
▸ ESR1 P03372 1/20 0.31
▸ CCNT1 O60563 3/20 0.31
▸ CDK9 P50750 3/20 0.31
▸ FAAH O00519 1/20 0.30
▸ PDE5A O76074 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL11939147 0.93 NAAA (0.40) NAAAESR1CCNT1CDK9FAAH
SCHEMBL15381660 0.92 NAAA (0.45) NAAAESR1CCNT1CDK9PDE5A
SCHEMBL12836550 0.91 NAAA (0.38) NAAAESR1FAAHPDE5AHDAC1
SCHEMBL11938871 0.91 NAAA (0.42) NAAAESR1CCNT1CDK9
SCHEMBL11939350 0.90 NAAA (0.32) NAAACCNT1CDK9
SCHEMBL11933219 0.88 NAAA (0.42) NAAAESR1CCNT1CDK9
SCHEMBL15381661 0.87 NAAA (0.41) NAAAESR1CCNT1CDK9PDE5A
SCHEMBL11946264 0.86 NAAA (0.35) NAAA
SCHEMBL11939221 0.86 PDE5A (0.34) NAAAPDE5AHDAC1HDAC6
SCHEMBL15381607 0.85 NAAA (0.45) NAAAESR1CCNT1CDK9

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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 — — US disclosed
WO-2011033937-A1 LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2011-03-24 — — WO 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 4102/4885ESR1 2251/4885CCNT1 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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