SCHEMBL2211940

SCHEMBL2211940

C=C[C@H]1CC[C@H](C2CC=C(c3ccc(OCC)c(F)c3F)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 3/20 0.32
CDK9 P50750 3/20 0.32

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
SCHEMBL13922335 1.00 CCNT1 (0.32) CCNT1CDK9
SCHEMBL13922592 1.00 CCNT1 (0.32) CCNT1CDK9
SCHEMBL8967912 0.96 CCNT1 (0.30) CCNT1CDK9
SCHEMBL13922473 0.93 GABRA1 (0.34) CCNT1CDK9
SCHEMBL13922599 0.92 CNR2 (0.31) CCNT1CDK9
SCHEMBL13922474 0.92 CNR2 (0.31) CCNT1CDK9
SCHEMBL13378757 0.92 HTR2C (0.30) CCNT1CDK9
SCHEMBL13378679 0.92 HTR2C (0.30) CCNT1CDK9
SCHEMBL13378694 0.92 HTR2C (0.30) CCNT1CDK9
SCHEMBL13378743 0.92 HTR2C (0.30) 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
EP-1903090-B1 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device JNC CORP (JP) 2011-07-27 EP disclosed
US-7510749-B2 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION (JP) 2009-03-31 US disclosed
EP-1903090-A2 Cyclohexene derivative having alkenyl, liquid crystal composition and liquid crystal display device Chisso Corporation (JP) 2008-03-26 EP disclosed
US-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time CHISSO CORPORATION 2008-03-13 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-20080063814-A1 Difluorobenzene derivative, alkenyl, cyclohexenyl; increased voltage holding ratio; high clearing point, low minimum temperature liquid crystal phase, enhanced temperature range of nematic phase; display device useful in wide temperature range; small viscosity, large elastic constant, fast response time POU2F2, HCN2, POU2F1 CCNT1 45/4885CDK9 1349/4885

“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.