SCHEMBL11939213

SCHEMBL11939213

CCCC(O)c1ccc(C(=O)OC2CC=C(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CCNT1 O60563 4/20 0.31
▸ CDK9 P50750 4/20 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
SCHEMBL11939076 1.00 CCNT1 (0.31) CCNT1CDK9
SCHEMBL12223340 0.94 — —
SCHEMBL11938881 0.93 CCNT1 (0.32) CCNT1CDK9
SCHEMBL11938861 0.91 PDE5A (0.32) CCNT1CDK9
SCHEMBL11939191 0.91 NAAA (0.31) CCNT1CDK9
SCHEMBL11939077 0.90 — —
SCHEMBL11939344 0.90 — —
SCHEMBL11939263 0.90 CCNT1 (0.32) CCNT1CDK9
SCHEMBL11939203 0.90 NAAA (0.34) CCNT1CDK9
SCHEMBL15381767 0.90 CCNT1 (0.35) CCNT1CDK9

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 CCNT1 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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