SCHEMBL660726

SCHEMBL660726

CCCCc1nc(C)n(-c2ccc(OCc3ccccc3)cc2)c(=O)c1Cc1cc(CCC)c(O)c(CCC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HRH3 Q9Y5N1 10/20 0.42
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 4/20 0.40
ADRA1A P35348 1/20 0.40
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 1/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 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
SCHEMBL660776 0.90 CACNA2D1 (0.40) NPC1RAB9APKMSMN1; SMN2HRH3
SCHEMBL670411 0.90 NPC1 (0.45) L3MBTL1NPC1RAB9APKMSMN1; SMN2
SCHEMBL661889 0.89 ALKBH1 (0.37) L3MBTL1NPC1RAB9ALMNAMAPK1
SCHEMBL661735 0.86 PPARG (0.44) L3MBTL1NPC1RAB9A
SCHEMBL666743 0.85 NPC1 (0.40) L3MBTL1NPC1RAB9APKMSMN1; SMN2
SCHEMBL659793 0.85 APLNR (0.37) L3MBTL1HRH3MAPK1CYP3A4CYP2C9
SCHEMBL666742 0.85 PPARG (0.39) L3MBTL1NPC1RAB9APKMSMN1; SMN2
SCHEMBL661904 0.80 DPP4 (0.39) SMN1; SMN2CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL665635 0.80 PPARD (0.36) HRH3LMNAMAPK1KCNH2ALDH1A1
SCHEMBL661745 0.79 PPARG (0.45)

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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME KOWA COMPANY, LTD. (JP) 2012-02-23 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-20120046308-A1 NOVEL ALPHA-PHENOXYBENZENEACETIC ACID DERIVATIVE AND PHARMACEUTICAL PREPARATION COMPRISING SAME PPARA, PPARG, PPARD L3MBTL1 3923/4885NPC1 1827/4885RAB9A 845/4885

“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.