SCHEMBL2397862

SCHEMBL2397862

Fc1cc(Oc2cc[c]cc2)ccc1OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.46
S1PR5 Q9H228 1/20 0.42
FFAR1 O14842 5/20 0.42
PPARD Q03181 4/20 0.42
MAOB P27338 1/20 0.41
KDM1A O60341 3/20 0.40
MRGPRX4 Q96LA9 3/20 0.40
FFAR4 Q5NUL3 2/20 0.40
ALOX5 P09917 1/20 0.40
ERN1 O75460 1/20 0.39

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
SCHEMBL2395569 0.83 NPC1 (0.48) PPARDMAOBMRGPRX4
SCHEMBL2262271 0.80 LMNA (0.58) FFAR1MAOBFFAR4ALOX5
SCHEMBL4833143 0.80 ERN1 (0.54) S1PR5FFAR1PPARDKDM1AMRGPRX4
SCHEMBL27863231 0.78 POLB (0.50)
SCHEMBL2265075 0.78 MAOB (0.58) FFAR1MAOBFFAR4ALOX5
SCHEMBL27882779 0.78 MAOB (0.58) FFAR1PPARDMAOBERN1
SCHEMBL1128493 0.77 FFAR1 (0.59) FFAR1PPARDKDM1AMRGPRX4ALOX5
SCHEMBL1516640 0.77 S1PR5 (0.45) SCN9AS1PR5FFAR1PPARDMAOB
SCHEMBL1283846 0.76 FFAR1 (0.58) FFAR1MAOBFFAR4
SCHEMBL1300529 0.76 MEN1 (0.49)

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-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES INSTITUTE FOR ONEWORLD HEALTH (US) 2011-09-29 US disclosed
US-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives INSTITUTE FOR ONEWORLD HEALTH 2010-06-10 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 (2 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-20100144733-A1 Compounds, compositions and methods comprising heteroaromatic derivatives CFTR, PKD1, PKD2 SCN9A 902/4885S1PR5 3968/4885FFAR1 1350/4885
US-20110237528-A1 COMPOSITIONS AND METHODS COMPRISING IMIDAZOLE AND TRIAZOLE DERIVATIVES CFTR, PKD1, PKD2 SCN9A 1087/4885S1PR5 3422/4885FFAR1 1780/4885

“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.