SCHEMBL11938476

SCHEMBL11938476

CCOc1ccc(-c2ccc(OC(=O)C3CC=C(c4ccc(O)c(F)c4F)CC3)c(F)c2F)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 15/20 0.42
▸ CCNT1 O60563 14/20 0.42
▸ HPGD P15428 4/20 0.33
▸ PDE5A O76074 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL15381715 1.00 CDK9 (0.42) CDK9CCNT1HPGDPDE5AHDAC1
SCHEMBL15381543 0.95 CDK9 (0.39) CDK9CCNT1HPGDPDE5AHDAC1
SCHEMBL11939974 0.93 CDK9 (0.38) CDK9CCNT1
SCHEMBL11938858 0.93 CDK9 (0.38) CDK9CCNT1
SCHEMBL12836569 0.91 CDK9 (0.40) CDK9CCNT1
SCHEMBL11933242 0.90 CDK9 (0.40) CDK9CCNT1HPGDPDE5AHDAC1
SCHEMBL11933383 0.90 CDK9 (0.40) CDK9CCNT1HPGDPDE5AHDAC1
SCHEMBL15381728 0.90 CDK9 (0.36) CDK9CCNT1HPGDPDE5AHDAC1
SCHEMBL15381757 0.90 CDK9 (0.36) CDK9CCNT1HPGDPDE5AHDAC1
SCHEMBL15381714 0.89 CDK9 (0.36) CDK9CCNT1HPGDPDE5AHDAC1

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 CDK9 575/4885CCNT1 16/4885HPGD 3893/4885

“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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