SCHEMBL2881353

SCHEMBL2881353

CCOc1ccc([C@H]2CC[C@H](C3CCC(=O)CC3)CC2)c(F)c1Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 4/20 0.35
TSHR P16473 2/20 0.33
MAPT P10636 2/20 0.32
LMNA P02545 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
EZH2 Q15910 1/20 0.31
HTR7 P34969 1/20 0.31
HCRTR1 O43613 3/20 0.31
IDO1 P14902 1/20 0.31
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR2A P28223 1/20 0.30
KDM1A O60341 2/20 0.30
KDM4E B2RXH2 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
SCHEMBL2881351 1.00 HCRTR2 (0.35) HCRTR2TSHRMAPTLMNAALDH1A1
SCHEMBL11894645 0.90 HCRTR2 (0.36) HCRTR2TSHRMAPTLMNAALDH1A1
SCHEMBL11894647 0.90 HCRTR2 (0.36) HCRTR2TSHRMAPTLMNAALDH1A1
SCHEMBL13235244 0.86 ALDH1A1 (0.35) HCRTR2MAPTALDH1A1IDO1HTR2C
SCHEMBL13235246 0.85 OPRL1 (0.32) HCRTR2HTR2CHTR2BHTR2AKDM1A
SCHEMBL13235203 0.84 HCRTR2 (0.31) HCRTR2TSHRIDO1HTR2CHTR2B
SCHEMBL2881019 0.84 HCRTR2 (0.31) HCRTR2TSHRIDO1HTR2CHTR2B
SCHEMBL2883761 0.84 HTR2C (0.31) HTR2CHTR2BHTR2A
SCHEMBL2883758 0.84 HTR2C (0.31) HTR2CHTR2BHTR2A
SCHEMBL13235262 0.83 OPRL1 (0.35) MAPTLMNAALDH1A1CYP2C9

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 6 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
EP-1873134-A1 CHLOROFLUOROBENZENE LIQUID CRYSTALLINE COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2008-01-02 EP 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 HCRTR2 2871/4885TSHR 1960/4885MAPT 2893/4885
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 HCRTR2 3160/4885TSHR 1468/4885MAPT 2885/4885

“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.