SCHEMBL424417

SCHEMBL424417

CCCCCc1ccc(-c2ccc(-c3ccc(-c4ccc(OCC)c(F)c4F)cc3)cc2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.40
RARB P10826 4/20 0.39
RARA P10276 2/20 0.39
RARG P13631 1/20 0.39
S1PR1 P21453 1/20 0.37
TSHR P16473 2/20 0.36
CNR2 P34972 2/20 0.36
FGFR2 P21802 2/20 0.35
FGFR1 P11362 1/20 0.35
RET P07949 1/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 3/20 0.35
KMT2A Q03164 3/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
ALOX5 P09917 1/20 0.35
TYR P14679 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL10301559 0.93 CNR2 (0.41) RARBRARARARGS1PR1CNR2
SCHEMBL8932327 0.91 NAAA (0.42) NAAARARBRARAS1PR1FGFR2
SCHEMBL8969240 0.90 NAAA (0.39) NAAARARBRARARARGS1PR1
SCHEMBL427589 0.90 CTSL (0.40) RARBTSHRCNR2FGFR2FGFR1
SCHEMBL10302028 0.89 RARB (0.42) RARBRARARARGS1PR1CNR2
SCHEMBL12736522 0.88 RARB (0.41) NAAARARBRARARARGS1PR1
SCHEMBL10302825 0.87 FFAR1 (0.37) NAAARARBTSHRCNR2FGFR2
SCHEMBL10302840 0.87 CTSL (0.40) RARBTSHRCNR2FGFR2FGFR1
SCHEMBL2855559 0.86 RARB (0.52) RARBRARARARGS1PR1TSHR
SCHEMBL10302302 0.86 FFAR1 (0.39) RARBS1PR1TSHRCNR2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 US disclosed
US-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CHISSO PETROCHEMICAL CORPORATION (JP) 2012-01-26 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-20120018672-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE ROCK2, ROCK1, LEF1 NAAA 4224/4885RARB 453/4885RARA 223/4885

“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.