SCHEMBL12834682

SCHEMBL12834682

CCCC1CCC(C2CCC(c3ccc(C)c(C(F)F)c3F)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 16/20 0.37
CYP2C9 P11712 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
KMT2A Q03164 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
SCHEMBL12834367 0.96 OPRL1 (0.39) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13025876 0.95 OPRL1 (0.39) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13025883 0.92 OPRL1 (0.37) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12834679 0.90 OPRL1 (0.37) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13025874 0.89 OPRL1 (0.35) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13025980 0.87 CYP2C9 (0.34) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12834194 0.86 CYP2C9 (0.33) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13025881 0.86 GPR119 (0.36) OPRL1CYP2C9
SCHEMBL13025646 0.85 OPRL1 (0.39) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12140866 0.85 OPRL1 (0.40) OPRL1CYP2C9ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 OPRL1 3494/4885CYP2C9 3032/4885ALDH1A1 1988/4885

“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.