SCHEMBL12428890

SCHEMBL12428890

Cc1cc(F)c(CF)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SELL P14151 1/20 0.33
SELP P16109 1/20 0.33
SELE P16581 1/20 0.33
RAPGEF4 Q8WZA2 2/20 0.32
TAAR1 Q96RJ0 2/20 0.32
NFE2L2 Q16236 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL17190857 0.87 DHODH (0.31) NFE2L2
SCHEMBL19204657 0.80 TAAR1 (0.43) SELLSELPSELERAPGEF4TAAR1
SCHEMBL3684762 0.79
SCHEMBL9336 0.78 SELL (0.33) SELLSELPSELERAPGEF4TAAR1
SCHEMBL14234530 0.77 AKR1C3 (0.37) TAAR1
SCHEMBL4567638 0.77 ACHE (0.37) NFE2L2
SCHEMBL17514533 0.76 SELL (0.32) SELLSELPSELERAPGEF4TAAR1
SCHEMBL17358649 0.76 TAAR1 (0.40) SELLSELPSELERAPGEF4TAAR1
SCHEMBL6026539 0.76 RAPGEF4 (0.35) SELLSELPSELERAPGEF4TAAR1
SCHEMBL3090749 0.76 SELL (0.38) SELLSELPSELERAPGEF4TAAR1

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-2351741-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT Chisso Corporation (JP) 2011-08-03 EP disclosed
US-7914859-B2 Light modulation media, use in particular for electrooptic displays which are operated at a temperature at which the mesogenic modulation media are in an optically isotropic phase, preferably in a blue phase; reduced operating voltage, reduced temperature dependency of operating voltage, reliability MERCK PATENT GMBH (DE) 2011-03-29 US disclosed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 EP disclosed
WO-2010047260-A1 PENTACYCLIC LIQUID CRYSTAL COMPOUND HAVING NITROGEN-CONTAINING HETEROCYCLIC RING, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT チッソ株式会社 (JP) 2010-04-29 WO disclosed
US-7419706-B2 Liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2008-09-02 US disclosed
US-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display MERCK PATENT GMBH (DE) 2008-05-22 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 (1 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-20080116419-A1 Mesogenic Compounds, Liquid Crystal Medium and Liquid Crystal Display CRY1, CRY2, IK SELL 1905/4885SELP 4329/4885SELE 2721/4885

“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.