SCHEMBL2882945

SCHEMBL2882945

CCC[C@H]1CC[C@H]([C@H]2CC[C@H](COc3ccc(OCC)c(F)c3Cl)CC2)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.35
▸ HTR2C P28335 4/20 0.33
▸ HTR2B P41595 4/20 0.33
▸ HTR2A P28223 2/20 0.33
▸ CNR2 P34972 4/20 0.32
▸ HPGD P15428 1/20 0.31
▸ GRM2 Q14416 1/20 0.31
▸ KDM1A O60341 2/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ EGFR P00533 2/20 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
SCHEMBL13235564 1.00 RIPK1 (0.35) RIPK1HTR2CHTR2BHTR2ACNR2
SCHEMBL2885443 1.00 RIPK1 (0.35) RIPK1HTR2CHTR2BHTR2ACNR2
SCHEMBL13235218 1.00 RIPK1 (0.35) RIPK1HTR2CHTR2BHTR2ACNR2
SCHEMBL13235542 0.93 GRM2 (0.34) RIPK1HTR2CHTR2BHTR2ACNR2
SCHEMBL8448296 0.92 RIPK1 (0.39) RIPK1HTR2CHTR2BHTR2AKDM1A
SCHEMBL8448300 0.92 RIPK1 (0.39) RIPK1HTR2CHTR2BHTR2AKDM1A
SCHEMBL9561975 0.92 RIPK1 (0.39) RIPK1HTR2CHTR2BHTR2AKDM1A
SCHEMBL8448293 0.92 RIPK1 (0.39) RIPK1HTR2CHTR2BHTR2AKDM1A
SCHEMBL15445815 0.92 RIPK1 (0.39) RIPK1HTR2CHTR2BHTR2AKDM1A
SCHEMBL13235547 0.92 GRM2 (0.33) RIPK1HTR2CHTR2BHTR2ACNR2

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 RIPK1 1138/4885HTR2C 663/4885HTR2B 455/4885
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 RIPK1 1407/4885HTR2C 532/4885HTR2B 750/4885

“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.

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