SCHEMBL1550145

SCHEMBL1550145

OCc1ccc(-c2ccc(OC(F)(F)F)cc2)nc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 3/20 0.46
CYP1A2 P05177 3/20 0.45
TP53 P04637 1/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.42
SCN5A Q14524 1/20 0.42
THRB P10828 2/20 0.41
TRPV3 Q8NET8 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
GCGR P47871 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40

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
SCHEMBL21034957 0.92 KDM1A (0.47) CHRM5CYP1A2TP53MAPTRAB9A
SCHEMBL2056330 0.86 SMN1; SMN2 (0.54) CHRM5CYP1A2TP53MAPTRAB9A
SCHEMBL1549919 0.85 CHRM5 (0.46) CHRM5CYP1A2TP53MAPTRAB9A
SCHEMBL19531531 0.85 CHRM5 (0.46) CHRM5CYP1A2TP53MAPTRAB9A
SCHEMBL8303713 0.83 PIM1 (0.51) CHRM5TRPV3SCN10A
SCHEMBL8515356 0.82 MAPT (0.57) CHRM5CYP1A2TP53MAPTRAB9A
SCHEMBL508392 0.81 KCNH2 (0.42) SCN5ASCN10AFFAR1FFAR4
SCHEMBL8027367 0.80 PPARA (0.49) MAPTFFAR1FFAR4ALDH1A1
SCHEMBL30430478 0.80 SCN5A (0.43) SCN5ASCN10AFFAR4
SCHEMBL31374887 0.80 CHRM5 (0.44) CHRM5CYP1A2TP53MAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2314576-A1 Phenyl derivatives as PPAR agonists F.HOFFMANN-LA ROCHE AG (CH) 2011-04-27 EP disclosed
US-7115611-B2 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-10-03 US disclosed
EP-1682508-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
WO-2005049573-A1 PHENYL DERIVATIVES AS PPAR AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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-20050096337-A1 Phenyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG CHRM5 194/4885CYP1A2 94/4885TP53 2484/4885

“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.