SCHEMBL2881019

SCHEMBL2881019

CCOc1ccc([C@H]2CC[C@H]([C@H]3CC[C@H](C=O)CC3)CC2)c(F)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 1/20 0.31
IDO1 P14902 1/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 2/20 0.30
HTR2A P28223 1/20 0.30
TACR2 P21452 1/20 0.30
TSHR P16473 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
SCHEMBL13235203 1.00 HCRTR2 (0.31) HCRTR2IDO1HTR2CHTR2BHTR2A
SCHEMBL11894578 0.90 KDM1A (0.32) HCRTR2TSHR
SCHEMBL15381472 0.90 KDM1A (0.32) HCRTR2TSHR
SCHEMBL13235201 0.88 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL2881251 0.88 HTR2C (0.32) HTR2CHTR2BHTR2A
SCHEMBL2878870 0.87
SCHEMBL13235378 0.87
SCHEMBL425810 0.86 KDM1A (0.34) HCRTR2TSHR
SCHEMBL1574664 0.86 KDM1A (0.34) HCRTR2TSHR
SCHEMBL13235244 0.85 ALDH1A1 (0.35) HCRTR2IDO1HTR2CHTR2BHTR2A

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 HCRTR2 2871/4885IDO1 3198/4885HTR2C 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 HCRTR2 3160/4885IDO1 3365/4885HTR2C 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.