SCHEMBL11939010

SCHEMBL11939010

CCOc1ccc(-c2ccc(C3=CCC(COc4ccc(C(O)CC)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 3/20 0.31
▸ CCNT1 O60563 2/20 0.31
▸ CDK9 P50750 2/20 0.31

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
SCHEMBL11939208 1.00 ACACB (0.31) ACACBCCNT1CDK9
SCHEMBL11939192 0.92 PDE5A (0.30) —
SCHEMBL11939239 0.92 PDE5A (0.30) —
SCHEMBL11939355 0.91 ACACB (0.32) ACACBCCNT1CDK9
SCHEMBL12223308 0.89 — —
SCHEMBL15381643 0.89 CCNT1 (0.32) ACACBCCNT1CDK9
SCHEMBL11939006 0.88 — —
SCHEMBL11939347 0.88 — —
SCHEMBL11939809 0.87 — —
SCHEMBL11939061 0.87 — —

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 ACACB 2039/4885CCNT1 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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