SCHEMBL10091179

SCHEMBL10091179

CC1CCC(c2ccc(-c3ccccc3)cc2F)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.37
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
PDK2 Q15119 1/20 0.36
PDK4 Q16654 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
PDE2A O00408 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
KDM1A O60341 2/20 0.35
KDM1B Q8NB78 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34

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
SCHEMBL13408582 0.87 DGAT1 (0.37) DGAT1KDM4EMAPTGABRA1GABRB2
SCHEMBL21417715 0.87 ESR2 (0.47) DGAT1NPC1RAB9AKDM1A
SCHEMBL12579697 0.87 ESR2 (0.47) DGAT1NPC1RAB9AKDM1A
SCHEMBL20083067 0.87 ESR2 (0.47) DGAT1NPC1RAB9AKDM1A
SCHEMBL13263124 0.83 PTGDR (0.44) HSD17B1HSD17B2FFAR4
SCHEMBL18458712 0.82 ESR2 (0.42) FFAR4MAPT
SCHEMBL13263096 0.81 PDK2 (0.33) DGAT1PDK2PDK4MAPTCNR1
SCHEMBL18688512 0.81 ESR2 (0.41) DGAT1NPC1RAB9A
SCHEMBL29186355 0.81 OPRL1 (0.43) DGAT1FFAR4KDM4ERAB9A
SCHEMBL30767887 0.81 OPRL1 (0.43) DGAT1FFAR4KDM4ERAB9A

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 12 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
EP-1897928-B1 Chlorofluorobenzene liquid crystal compound, liquid crystal composition and liquid crystal display device CHISSO CORP (JP) 2010-10-27 EP 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-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

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 DGAT1 1990/4885HSD17B1 916/4885HSD17B2 976/4885
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 DGAT1 415/4885HSD17B1 3478/4885HSD17B2 2974/4885
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 DGAT1 2395/4885HSD17B1 3641/4885HSD17B2 3116/4885
US-20100328600-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE KIF23, MARK3, CCND3 DGAT1 2906/4885HSD17B1 2431/4885HSD17B2 2118/4885
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 DGAT1 3431/4885HSD17B1 1661/4885HSD17B2 1473/4885
US-20110037024-A1 THREE-RING LIQUID CRYSTAL COMPOUND HAVING LATERAL FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE LEF1, LAS1L, L3MBTL3 DGAT1 3026/4885HSD17B1 1384/4885HSD17B2 1869/4885

“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.