SCHEMBL13378115

SCHEMBL13378115

CCCCCC1CC=C(c2ccc(OC)c(Cl)c2F)CC1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNT1 O60563 5/20 0.35
CDK9 P50750 5/20 0.35
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 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
SCHEMBL13378122 0.99 CCNT1 (0.34) CCNT1CDK9ALDH1A1CYP1A2CYP3A4
SCHEMBL13378120 0.99 CCNT1 (0.34) CCNT1CDK9ALDH1A1CYP1A2CYP3A4
SCHEMBL13378269 0.93 ESR2 (0.36) CCNT1CDK9
SCHEMBL13378111 0.92 CCNT1 (0.36) CCNT1CDK9HTR2AHTR2CHTR2B
SCHEMBL13378152 0.91 CCNT1 (0.35) CCNT1CDK9ALDH1A1CYP1A2CYP3A4
SCHEMBL13378159 0.90 CCNT1 (0.34) CCNT1CDK9ALDH1A1CYP1A2CYP3A4
SCHEMBL13378119 0.90 THRB (0.32) CCNT1CDK9
SCHEMBL2889948 0.90 ESR1 (0.33) CCNT1CDK9
SCHEMBL9419300 0.90 CCNT1 (0.34) CCNT1CDK9
SCHEMBL13378125 0.89 THRB (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7695777-B2 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSON CORPORATION (JP) 2010-04-13 US disclosed
US-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CHISSO CORPORATION 2008-03-27 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-20080075891-A1 cyclohexenylene compounds which have a phenylene ring both fluoro and chloro substituted; wide temperature range; heat and light stable; small viscosity, large optical anisotropy; suitable negative dielectric anisotropy and excellent compatibility with other liquid crystal compounds; short response times CNKSR1, CLCN2, LEF1 CCNT1 22/4885CDK9 659/4885ALDH1A1 1528/4885

“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.