SCHEMBL13235249

SCHEMBL13235249

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 17/20 0.38
CYP2C9 P11712 1/20 0.35
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL13110477 0.96 OPRL1 (0.40) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13110473 0.89 OPRL1 (0.40) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13235237 0.89 OPRL1 (0.34) OPRL1
SCHEMBL3437350 0.87 OPRL1 (0.40) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL17614851 0.87 OPRL1 (0.40) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL4406898 0.87 OPRL1 (0.40) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12140866 0.87 OPRL1 (0.40) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL12994006 0.85 CYP2C9 (0.42) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13235644 0.84 OPRL1 (0.39) OPRL1CYP2C9ALDH1A1LMNAMAPT
SCHEMBL13235250 0.83 ALDH1A1 (0.37) 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 8 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-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-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-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

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-20090264683-A1 CHLOROFLUOROBENZENE LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY DEVICE CCND3, CCND1, SLFN12 OPRL1 3629/4885CYP2C9 2402/4885ALDH1A1 2030/4885

“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.