SCHEMBL716244

SCHEMBL716244

CCCC1CCC(c2cccc(F)c2F)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.45
CYP2C9 P11712 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36

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
SCHEMBL28483699 1.00 OPRL1 (0.45) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL7566938 0.98 OPRL1 (0.44) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL7566933 0.98 OPRL1 (0.44) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL7566930 0.95 OPRL1 (0.42) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL7566935 0.95 OPRL1 (0.42) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL7566942 0.95 OPRL1 (0.42) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL7728070 0.89 OPRL1 (0.42) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL731290 0.89 OPRL1 (0.42) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL7728065 0.89 OPRL1 (0.42) OPRL1CYP2C9HTR2CHTR2BHCRTR2
SCHEMBL7728060 0.89 OPRL1 (0.42) OPRL1CYP2C9HTR2CHTR2BHCRTR2

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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107573212-B Synthesis method of trans-4-alkyl cyclohexyl benzene structure liquid crystal intermediate and monomer 宁夏中星显示材料有限公司 2020-08-04 CN disclosed
EP-2987790-B1 LIQUID CRYSTAL COMPOUND HAVING XANTHENE SKELETON AND EXHIBITING NEGATIVE DIELECTRIC ANISOTROPY, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2019-08-28 EP disclosed
US-10040999-B2 Liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-08-07 US disclosed
US-9879182-B2 Liquid crystal compound having xanthene skeleton and exhibiting negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-9879182-B2 Liquid crystal compound having xanthene skeleton and exhibiting negative dielectric anisotropy, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2018-01-30 US disclosed
US-20170210992-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-07-27 US disclosed
US-20170210992-A1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2017-07-27 US disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
US-9527870-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-12-27 US disclosed
EP-2279990-B1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2016-10-26 EP disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
US-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION 2011-04-07 US disclosed
EP-2279990-A1 LIQUID CRYSTALLINE TETRACYCLIC COMPOUND HAVING FLUORINE ATOM, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-02-02 EP disclosed
EP-0920405-B1 FLUOROVINYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORP (JP) 2001-07-11 EP disclosed
US-6207076-B1 HIGH ELASTIC CONSTANT RATIO, LOW VISCOSITY, WIDE NEMATIC PHASE TEMPERATURE RANGE, CHEMICAL STABILITY CHISSO CORPORATION (JP) 2001-03-27 US disclosed
EP-0920405-A1 FLUOROVINYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1999-06-09 EP disclosed
WO-1998008791-A1 FLUOROVINYL DERIVATIVE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 1998-03-05 WO disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 EP disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 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-20110079753-A1 LIQUID CRYSTAL FOUR-RING COMPOUND HAVING FLUORINE, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE ROCK1, ROCK2, LEF1 OPRL1 3448/4885CYP2C9 2320/4885HTR2C 523/4885

“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.