SCHEMBL2881268

SCHEMBL2881268

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCc3ccc(OCC)c(F)c3Cl)CC2)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CEL P19835 2/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
KDM1A O60341 2/20 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
SCHEMBL13235364 1.00 CEL (0.31) CELHTR2AHTR2CKDM1A
SCHEMBL13235199 1.00 CEL (0.31) CELHTR2AHTR2CKDM1A
SCHEMBL13235353 0.93 HRH3 (0.30)
SCHEMBL13235347 0.93 CEL (0.31) CELHTR2AHTR2CKDM1A
SCHEMBL13235335 0.92 CEL (0.30) CEL
SCHEMBL13235326 0.92 ALDH1A1 (0.33) CELHTR2AHTR2C
SCHEMBL13235348 0.90 CEL (0.31) CELHTR2AHTR2CKDM1A
SCHEMBL3437330 0.90 KDM1A (0.33) HTR2AHTR2CKDM1A
SCHEMBL22277545 0.90 KDM1A (0.33) HTR2AHTR2CKDM1A
SCHEMBL13235357 0.88 HTR2C (0.32) HTR2AHTR2C

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CEL 1092/4885HTR2A 1335/4885HTR2C 663/4885
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 CEL 2259/4885HTR2A 914/4885HTR2C 532/4885

“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.