SCHEMBL429829

SCHEMBL429829

CCCCOc1ccc(-c2ccc(OC[C@H]3CC[C@H](c4ccc(OCC)c(F)c4F)CC3)cc2)c(F)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 2/20 0.37
KCNH2 Q12809 1/20 0.37
ALOX5AP P20292 3/20 0.36
FEN1 P39748 3/20 0.36
FFAR4 Q5NUL3 3/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM1A O60341 1/20 0.34
FFAR1 O14842 1/20 0.34
PPARD Q03181 1/20 0.34
PDE4A P27815 2/20 0.33
PDE4D Q08499 2/20 0.33
PDE3B Q13370 2/20 0.33
PDE3A Q14432 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33

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
SCHEMBL14765765 0.96 ALOX5AP (0.36) SSTR5KCNH2ALOX5APFEN1FFAR4
SCHEMBL14765746 0.96 ALOX5AP (0.36) SSTR5KCNH2ALOX5APFEN1FFAR4
SCHEMBL14766079 0.95 ALOX5AP (0.36) SSTR5KCNH2ALOX5APFEN1FFAR4
SCHEMBL14766876 0.95 ALOX5AP (0.36) SSTR5KCNH2ALOX5APFEN1FFAR4
SCHEMBL14767071 0.93 ALOX5AP (0.35) ALOX5APFEN1FFAR4CYP1A2CYP2D6
SCHEMBL14765819 0.93 ALOX5AP (0.35) ALOX5APFEN1FFAR4CYP1A2CYP2D6
SCHEMBL14766305 0.91 SSTR5 (0.38) SSTR5KCNH2ALOX5APFEN1FFAR4
SCHEMBL14766934 0.91 SSTR5 (0.38) SSTR5KCNH2ALOX5APFEN1FFAR4
SCHEMBL14766733 0.91 FFAR1 (0.42) SSTR5KCNH2FFAR4KDM1AFFAR1
SCHEMBL15381723 0.90 FEN1 (0.39) SSTR5KCNH2ALOX5APFEN1L3MBTL1

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 1 patent. 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

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 SSTR5 2359/4885KCNH2 285/4885ALOX5AP 2550/4885

“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.