SCHEMBL11938858

SCHEMBL11938858

O=C(Oc1ccc(O)c(F)c1F)C1CC=C(c2ccc(-c3ccc(O)c(F)c3F)c(F)c2F)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CDK9 P50750 12/20 0.38
▸ CCNT1 O60563 11/20 0.38
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ MEN1 O00255 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ JAK1 P23458 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
SCHEMBL11939974 1.00 CDK9 (0.38) CDK9CCNT1ESR1ESR2MEN1
SCHEMBL11938476 0.93 CDK9 (0.42) CDK9CCNT1
SCHEMBL15381715 0.93 CDK9 (0.42) CDK9CCNT1
SCHEMBL11939853 0.90 CCNT1 (0.33) CDK9CCNT1ESR1ESR2
SCHEMBL11939186 0.88 CDK9 (0.36) CDK9CCNT1ESR1ESR2MEN1
SCHEMBL11939182 0.88 CCNT1 (0.36) CDK9CCNT1ESR1ESR2
SCHEMBL12223928 0.88 L3MBTL1 (0.33) CDK9CCNT1ESR1ESR2MEN1
SCHEMBL11939272 0.87 CCNT1 (0.35) CDK9CCNT1ESR1ESR2
SCHEMBL15381543 0.86 CDK9 (0.39) CDK9CCNT1
SCHEMBL11939248 0.86 CCNT1 (0.36) CDK9CCNT1

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 CDK9 575/4885CCNT1 16/4885ESR1 2251/4885

“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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