SCHEMBL17490328

SCHEMBL17490328

CCOc1ccc(OCc2ccc(OCc3cc(F)c(F)c(F)c3)c(F)c2)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.44
PPARD Q03181 4/20 0.44
PPARG P37231 1/20 0.44
PPARA Q07869 1/20 0.44
KDM1A O60341 2/20 0.43
MAOB P27338 1/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
MRGPRX4 Q96LA9 4/20 0.42
TACR2 P21452 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 2/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL17490422 0.93 MAOB (0.47) KDM1AMAOBLMNAHTTMRGPRX4
SCHEMBL17487645 0.88 RXRG (0.45) FFAR1PPARDPPARGPPARAMAOB
SCHEMBL17487644 0.86 RXRG (0.38) FFAR1PPARDPPARGPPARAMAOB
SCHEMBL19703012 0.84 MAOB (0.43) FFAR1MAOBLMNAHTTMRGPRX4
SCHEMBL10020164 0.82 KDM1A (0.40) FFAR1PPARDPPARGPPARAKDM1A
SCHEMBL10020136 0.82 MRGPRX4 (0.39) FFAR1PPARDPPARGPPARAKDM1A
SCHEMBL24540009 0.81 SLC26A3 (0.39) KDM1AMAOBMRGPRX4TACR2L3MBTL1
SCHEMBL29625871 0.81 MAOB (0.39) KDM1AMAOBLMNAHTTMRGPRX4
SCHEMBL29625877 0.81 SLC26A3 (0.39) KDM1AMAOBMRGPRX4TACR2L3MBTL1
SCHEMBL24540173 0.81 MAOB (0.39) KDM1AMAOBLMNAHTTMRGPRX4

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-9441161-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-09-13 US disclosed
US-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2016-02-04 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-20160032187-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE OCIAD1, OCIAD2, PIEZO1 FFAR1 1307/4885PPARD 4628/4885PPARG 4720/4885

“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.