SCHEMBL11938871

SCHEMBL11938871

CCOc1ccc(-c2ccc(COC3CC=C(c4ccc(C(C)O)c(F)c4F)CC3)c(F)c2)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 10/20 0.42
▸ ESR1 P03372 1/20 0.31
▸ CTSK P43235 1/20 0.31
▸ CCNT1 O60563 3/20 0.31
▸ CDK9 P50750 3/20 0.31
▸ FGFR1 P11362 1/20 0.30
▸ FGFR2 P21802 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 0.96 NAAA (0.40) NAAAESR1CCNT1CDK9
SCHEMBL15381575 0.92 NAAA (0.48) NAAAESR1CTSKCCNT1CDK9
SCHEMBL11939015 0.91 NAAA (0.40) NAAAESR1CCNT1CDK9
SCHEMBL11939350 0.89 NAAA (0.32) NAAACTSKCCNT1CDK9
SCHEMBL11933320 0.88 NAAA (0.44) NAAAESR1CTSKCCNT1CDK9
SCHEMBL15381607 0.87 NAAA (0.45) NAAAESR1CTSKCCNT1CDK9
SCHEMBL15381642 0.87 NAAA (0.44) NAAAESR1CTSKCCNT1CDK9
SCHEMBL11939332 0.87 NAAA (0.38) NAAAESR1
SCHEMBL12836808 0.86 NAAA (0.37) NAAA
SCHEMBL11938865 0.85 NAAA (0.33) NAAA

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 1 patent. 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

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 2251/4885CTSK 1522/4885

“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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