SCHEMBL11933265

SCHEMBL11933265

CCCc1ccc(C(=O)OC2CC=C(c3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3F)CC2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ CCNT1 O60563 3/20 0.32
▸ CDK9 P50750 3/20 0.32
▸ PDE5A O76074 2/20 0.31
▸ HDAC1 Q13547 2/20 0.31
▸ HDAC6 Q9UBN7 2/20 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
SCHEMBL11933358 1.00 CTSL (0.37) CTSLCTSSCTSKCCNT1CDK9
SCHEMBL15381767 0.92 CCNT1 (0.35) CCNT1CDK9
SCHEMBL12197237 0.91 CTSL (0.37) CTSLCTSSCTSKCCNT1CDK9
SCHEMBL11933270 0.90 CTSL (0.30) CTSLCTSSCTSK
SCHEMBL15381736 0.90 CNR1 (0.33) CCNT1CDK9
SCHEMBL15381659 0.90 CNR1 (0.33) CCNT1CDK9
SCHEMBL15381539 0.89 CNR2 (0.34) CCNT1CDK9
SCHEMBL15381529 0.89 CNR2 (0.34) CCNT1CDK9
SCHEMBL11939187 0.88 CCNT1 (0.33) CCNT1CDK9
SCHEMBL11933359 0.88 CCNT1 (0.34) 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 4 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-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
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 CTSL 1542/4885CTSS 2038/4885CTSK 1522/4885

“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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