SCHEMBL6400263

SCHEMBL6400263

CCC[C@H]1CC[C@H](C2CCC(C(F)(F)Oc3ccc(OC)c(C(F)(F)F)c3C(F)(F)F)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
TLR4 O00206 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
SCHEMBL17615963 0.86 ALDH1A1 (0.33) ALDH1A1MAPTHTTTLR4
SCHEMBL12834381 0.83
SCHEMBL6400747 0.81 ALDH1A1 (0.38) ALDH1A1MAPTHTTTLR4
SCHEMBL13025707 0.80 ALDH1A1 (0.31) ALDH1A1MAPTHTT
SCHEMBL5067011 0.79 KDM1A (0.32) TLR4
SCHEMBL5067004 0.79 KDM1A (0.32) TLR4
SCHEMBL13026045 0.78
SCHEMBL6397641 0.77 POLB (0.42) ALDH1A1MAPTHTT
SCHEMBL6399843 0.77 PTGDR2 (0.32) ALDH1A1MAPTHTTTLR4
SCHEMBL6404087 0.76 OPRM1 (0.37) ALDH1A1MAPTHTTTLR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1245660-B1 Liquid crystal compounds having bis(trifluoromethyl)phenyl rings, liquid crystal compositions and liquid crystal display devices CHISSO CORP (JP) 2005-02-23 EP disclosed
US-6844032-B2 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices CHISSO CORPORATION (JP) 2005-01-18 US disclosed
US-20030077405-A1 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices JNC PETROCHEMICAL CORPORATION (JP) 2003-04-24 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-20030077405-A1 Liquid crystal compounds having bis(trifluoromethyl) phenyl rings, liquid crystal compositions and liquid crystal display devices RCC1, KCNH2, OCIAD2 ALDH1A1 1846/4885MAPT 2799/4885HTT 4078/4885

“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.