SCHEMBL11938888

SCHEMBL11938888

CCOc1ccc(-c2ccc(OC(=O)C3CC=C(c4ccc(C(C)O)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 1/20 0.34
▸ CDK9 P50750 13/20 0.34
▸ CCNT1 O60563 12/20 0.34
▸ PTGS2 P35354 2/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PDE5A O76074 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ ACACB O00763 2/20 0.31
▸ L3MBTL1 Q9Y468 1/20 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
SCHEMBL15381663 0.93 CDK9 (0.37) FFAR4CDK9CCNT1PDE5AHDAC1
SCHEMBL11939277 0.91 CDK9 (0.33) FFAR4CDK9CCNT1PDE5AHDAC1
SCHEMBL11939367 0.90 CDK9 (0.35) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL15381760 0.89 CDK9 (0.35) FFAR4CDK9CCNT1PDE5AHDAC1
SCHEMBL11933388 0.89 CDK9 (0.38) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11939185 0.88 PDE5A (0.37) CDK9CCNT1PTGS2PTGS1PDE5A
SCHEMBL11938852 0.86 CDK9 (0.34) FFAR4CDK9CCNT1PTGS2PTGS1
SCHEMBL11939278 0.86 CDK9 (0.34) FFAR4CDK9CCNT1PDE5AHDAC1
SCHEMBL11939257 0.83 FFAR4 (0.35) FFAR4CDK9CCNT1ACACB
SCHEMBL11933389 0.83 CDK9 (0.37) CDK9CCNT1L3MBTL1

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 FFAR4 1038/4885CDK9 575/4885CCNT1 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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