SCHEMBL13378570

SCHEMBL13378570

CCCC1CC=C(c2ccc(CCc3ccc(-c4ccc(OCC)c(Cl)c4F)cc3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.36
NPC1 O15118 1/20 0.36
CASP3 P42574 1/20 0.36
RAB9A P51151 1/20 0.36
SENP8 Q96LD8 1/20 0.36
NLRP3 Q96P20 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PDE5A O76074 2/20 0.35
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
ESR2 Q92731 1/20 0.34
ESR1 P03372 1/20 0.33

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
SCHEMBL2892640 0.95 ESR2 (0.37) FFAR4NPC1CASP3RAB9ASENP8
SCHEMBL13378586 0.92 FFAR4 (0.36) FFAR4NPC1CASP3RAB9ASENP8
SCHEMBL13378255 0.89 ESR2 (0.36) FFAR4NPC1CASP3RAB9ASENP8
SCHEMBL13378262 0.88 ESR2 (0.35) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL13378247 0.88 ESR2 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL2889966 0.88 ESR1 (0.33) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL13378519 0.87 ESR2 (0.34) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL13378252 0.87 ESR2 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL13378528 0.87 ESR2 (0.36) NPC1CASP3RAB9ASENP8NLRP3
SCHEMBL13378310 0.87 ESR2 (0.37) FFAR4NPC1CASP3RAB9ASENP8

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 5 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-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
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
EP-1897928-A1 Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2008-03-12 EP 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 FFAR4 3832/4885NPC1 3055/4885CASP3 857/4885

“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.