SCHEMBL2882641

SCHEMBL2882641

CCCC1CCC([C@H]2CC[C@](O)(c3ccc(OCC)c(F)c3Cl)CC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
TLR4 O00206 1/20 0.32
PDK2 Q15119 1/20 0.31
HPGD P15428 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SSTR5 P35346 1/20 0.30

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
SCHEMBL13235182 1.00 OPRM1 (0.32) OPRM1OPRK1OPRL1TLR4PDK2
SCHEMBL2892557 0.93 OPRM1 (0.33) OPRM1OPRK1OPRL1PDK2SSTR5
SCHEMBL13378062 0.93 OPRM1 (0.33) OPRM1OPRK1OPRL1PDK2SSTR5
SCHEMBL2892563 0.93 OPRM1 (0.33) OPRM1OPRK1OPRL1PDK2SSTR5
SCHEMBL13235177 0.92 OPRM1 (0.32) OPRM1OPRK1OPRL1PDK2
SCHEMBL2882773 0.92 OPRM1 (0.32) OPRM1OPRK1OPRL1PDK2
SCHEMBL9979284 0.87 TLR4 (0.32) OPRM1OPRK1OPRL1TLR4
SCHEMBL2931710 0.84 S1PR5 (0.34) OPRM1OPRK1OPRL1PDK2
SCHEMBL20808415 0.81 OPRM1 (0.35) OPRM1OPRK1OPRL1TLR4
SCHEMBL20808413 0.81 OPRM1 (0.35) OPRM1OPRK1OPRL1TLR4

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
EP-1873134-B1 CHLOROFLUOROBENZENE LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORP (JP) 2013-02-13 EP disclosed
US-7758931-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-20 US disclosed
US-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO CORPORATION (JP) 2009-10-22 US disclosed
US-7569258-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2009-08-04 US disclosed
US-20060198968-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 JIANGSU HECHENG DISPLAY TECHNOLOGY CO., LTD. (CN) 2006-09-07 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 (2 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-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CCND3, CCND1, SLFN12 OPRM1 4071/4885OPRK1 2190/4885OPRL1 3629/4885
US-20060198968-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 CCND3, CCND1, TCF12 OPRM1 3875/4885OPRK1 1818/4885OPRL1 3645/4885

“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.