SCHEMBL10091163

SCHEMBL10091163

CC1CCC(C2CCC(c3ccccc3F)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.40
KDM1B Q8NB78 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
GRM2 Q14416 2/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
ESR2 Q92731 1/20 0.36
HCRTR2 O43614 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
HTR1A P08908 4/20 0.36
SLC6A2 P23975 4/20 0.36
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 3/20 0.36
DRD4 P21917 1/20 0.35

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
SCHEMBL10091165 0.94 KDM1A (0.44) KDM1AKDM1BKDM4EMEN1KMT2A
SCHEMBL11920714 0.94 KDM1A (0.44) KDM1AKDM1BKDM4EMEN1KMT2A
SCHEMBL10091235 0.86 HTR2C (0.38) ESR2HCRTR2HTR1ASLC6A2SLC6A4
SCHEMBL20821851 0.86 HTR2C (0.38) ESR2HCRTR2HTR1ASLC6A2SLC6A4
SCHEMBL20879299 0.84 TAAR1 (0.40) ESR2HTR1ASLC6A2SLC6A4SLC6A3
SCHEMBL10091169 0.84 OPRL1 (0.43) KDM1AKDM1BGRM2DRD2DRD3
SCHEMBL434606 0.84 KDM1A (0.52) KDM1AKDM1BKDM4EMEN1KMT2A
SCHEMBL21526236 0.83 KDM4E (0.47) KDM1AKDM1BKDM4EKMT2AGAA
SCHEMBL21159479 0.83 KDM1A (0.46) KDM1AKDM1BKDM4EMEN1KMT2A
SCHEMBL18610902 0.83 KDM1A (0.46) KDM1AKDM1BKDM4EMEN1KMT2A

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 13 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-7608310-B2 Liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2009-10-27 US 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
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-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
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 (6 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 KDM1A 937/4885KDM1B 1519/4885KDM4E 2690/4885
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 KDM1A 1275/4885KDM1B 1139/4885KDM4E 2237/4885
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 KDM1A 1702/4885KDM1B 1850/4885KDM4E 2832/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 KDM1A 3954/4885KDM1B 3428/4885KDM4E 1950/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 KDM1A 1215/4885KDM1B 1730/4885KDM4E 2769/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 KDM1A 549/4885KDM1B 1375/4885KDM4E 2638/4885

“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.