SCHEMBL2883439

SCHEMBL2883439

CCOc1ccc(C2CCC(C3CCC4(CC3)OCCO4)CC2)c(F)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
PDE10A Q9Y233 5/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
OPRL1 P41146 1/20 0.32
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31
HTR2A P28223 1/20 0.31
TRPV3 Q8NET8 1/20 0.31

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
SCHEMBL4861841 0.91 ALDH1A1 (0.35) ALDH1A1PDE10ALMNATSHRMEN1
SCHEMBL1243985 0.83 PDE10A (0.38) ALDH1A1PDE10ALMNATSHRMEN1
SCHEMBL14922515 0.82 GPR119 (0.34) ALDH1A1PDE10ATSHR
SCHEMBL13235244 0.82 ALDH1A1 (0.35) ALDH1A1KMT2AHTR2CHTR2BHTR2A
SCHEMBL2878291 0.81 ALDH1A1 (0.35) ALDH1A1LMNATSHRMEN1HTT
SCHEMBL13235246 0.81 OPRL1 (0.32) OPRL1HTR2CHTR2BHTR2A
SCHEMBL2509026 0.79 PDE10A (0.38) ALDH1A1PDE10ALMNATSHRMEN1
SCHEMBL2880937 0.79 OPRL1 (0.35) ALDH1A1LMNAMEN1KMT2AOPRL1
SCHEMBL13235262 0.79 OPRL1 (0.35) ALDH1A1LMNAMEN1KMT2AOPRL1
SCHEMBL12243354 0.79 OPRL1 (0.35) ALDH1A1LMNAMEN1KMT2AOPRL1

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 10 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-7758931-B2 Chlorofluorobenzene liquid crystal compound, liquid crystal composition, and liquid crystal display device CHISSO CORPORATION (JP) 2010-07-20 US 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-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-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 ALDH1A1 2030/4885PDE10A 696/4885LMNA 1893/4885
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 ALDH1A1 2356/4885PDE10A 574/4885LMNA 1159/4885

“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.