SCHEMBL11933248

SCHEMBL11933248

CCCOc1ccc(-c2ccc(C3=CCC(C(=O)Oc4ccc(C)c(F)c4F)CC3)cc2F)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 17/20 0.37
▸ CCNT1 O60563 16/20 0.37
▸ PDE5A O76074 2/20 0.35
▸ HDAC1 Q13547 2/20 0.35
▸ HDAC6 Q9UBN7 2/20 0.35
▸ FFAR4 Q5NUL3 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
SCHEMBL11933250 0.96 CDK9 (0.36) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11933247 0.94 CDK9 (0.38) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11933252 0.93 CDK9 (0.37) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11933392 0.90 CDK9 (0.37) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL15381667 0.90 PDE5A (0.39) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL15381568 0.89 PDE5A (0.40) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11933253 0.89 CDK9 (0.36) CDK9CCNT1FFAR4
SCHEMBL11933389 0.88 CDK9 (0.37) CDK9CCNT1
SCHEMBL11933251 0.87 CDK9 (0.38) CDK9CCNT1PDE5AHDAC1HDAC6
SCHEMBL11933386 0.86 CDK9 (0.38) CDK9CCNT1PDE5AHDAC1HDAC6

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 16/4885PDE5A 3350/4885

“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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