SCHEMBL10091171

SCHEMBL10091171

CC1CCC(CCC2CCC(c3cccc(F)c3)CC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 1/20 0.40
DRD4 P21917 1/20 0.39
OPRL1 P41146 5/20 0.39
KDM1A O60341 1/20 0.39
RCOR1 Q9UKL0 1/20 0.39
GRM2 Q14416 2/20 0.39
KCNQ2 O43526 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
ESR2 Q92731 1/20 0.39
HCRTR2 O43614 1/20 0.38
MLYCD O95822 1/20 0.38
LIPE Q05469 1/20 0.37

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
SCHEMBL10091151 0.90 ESR2 (0.46) DRD4KDM1ARCOR1HTR2AHTR2C
SCHEMBL27273287 0.90 ESR2 (0.46) DRD4KDM1ARCOR1HTR2AHTR2C
SCHEMBL10522645 0.88 CYP2C9 (0.46) CHRM4DRD4OPRL1KDM1ARCOR1
SCHEMBL9829137 0.88 CYP2C9 (0.46) CHRM4DRD4OPRL1KDM1ARCOR1
SCHEMBL2886666 0.86 CYP2C9 (0.47) CHRM4DRD4OPRL1KDM1ARCOR1
SCHEMBL731683 0.86 CYP2C9 (0.47) CHRM4DRD4OPRL1KDM1ARCOR1
SCHEMBL10091161 0.85 ESR2 (0.42) DRD4KDM1ARCOR1HTR2AHTR2C
SCHEMBL18503397 0.84 KDM1A (0.40) CHRM4DRD4OPRL1KDM1ARCOR1
SCHEMBL27871568 0.83 KDM1A (0.41) CHRM4DRD4OPRL1KDM1ARCOR1
SCHEMBL27682120 0.82 KDM1A (0.45) DRD4OPRL1KDM1ARCOR1GRM2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580142-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-11-12 US disclosed
US-8394294-B2 Four-ring liquid crystal compound having lateral fluorine, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2013-03-12 US disclosed
US-8216489-B2 Three-ring liquid crystal compound having lateral fluorine, liquid crystal composition, and liquid crystal display device JNC CORPORATION (JP) 2012-07-10 US disclosed
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 US disclosed
US-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2011-04-21 US disclosed
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2011-02-17 US disclosed
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2010-12-30 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20110090450-A1 FOUR-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, EFHD2 CHRM4 2050/4885DRD4 97/4885OPRL1 2073/4885
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 CHRM4 1925/4885DRD4 283/4885OPRL1 2583/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 CHRM4 770/4885DRD4 14/4885OPRL1 3132/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 CHRM4 1891/4885DRD4 76/4885OPRL1 2383/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 CHRM4 2563/4885DRD4 273/4885OPRL1 2046/4885

“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.