SCHEMBL13235263

SCHEMBL13235263

CCCCCc1ccc(C2CCC(C3CCC(C)CC3)CC2)c(Cl)c1F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYR P14679 3/20 0.35
ALOX5 P09917 2/20 0.35
MEN1 O00255 1/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SPHK1 Q9NYA1 2/20 0.32
OPRL1 P41146 1/20 0.31
GRM2 Q14416 1/20 0.30
PTGS2 P35354 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
SCHEMBL13235404 0.86 MEN1 (0.32) TYRALOX5MEN1TP53CYP3A4
SCHEMBL13235405 0.84 TYR (0.33) TYRALOX5MEN1TP53CYP3A4
SCHEMBL13235643 0.80 OPRL1 (0.38) MEN1MAPTTSHRHTTKMT2A
SCHEMBL15495082 0.80 TYR (0.36) TYRALOX5MEN1TP53CYP3A4
SCHEMBL16920537 0.79 CTSL (0.31)
SCHEMBL13000041 0.77 CNR1 (0.34)
SCHEMBL21482759 0.77 SPHK1 (0.36) TYRALOX5MEN1TP53CYP3A4
SCHEMBL9405837 0.77 TYR (0.33) TYRALOX5MEN1TP53CYP3A4
SCHEMBL9405836 0.77 TYR (0.33) TYRALOX5MEN1TP53CYP3A4
SCHEMBL13262907 0.76 RARB (0.35) TYRALOX5MEN1TP53CYP3A4

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
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

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 TYR 571/4885ALOX5 2036/4885MEN1 3958/4885

“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.