SCHEMBL665635

SCHEMBL665635

CCCCc1nc(C)n(-c2ccc(OCC)cc2)c(=O)c1Cc1cc(CCC)c(OC(C)(C(=O)O)c2ccccc2)c(CCC)c1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
HRH3 Q9Y5N1 2/20 0.35
CACNA2D1 P54289 1/20 0.34
LMNA P02545 1/20 0.34
MAPK1 P28482 1/20 0.34
CXCR3 P49682 2/20 0.34
MAPT P10636 3/20 0.34
KCNH2 Q12809 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TP53 P04637 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
SCHEMBL664828 0.86 DPP4 (0.33)
SCHEMBL661745 0.84 PPARG (0.45) PPARA
SCHEMBL660776 0.83 CACNA2D1 (0.40) HRH3CACNA2D1LMNAMAPK1MAPT
SCHEMBL661833 0.83 APLNR (0.35) PPARDPPARAHRH3CACNA2D1LMNA
SCHEMBL667883 0.83 PPARG (0.40) PPARAHRH3
SCHEMBL667884 0.82 TP53 (0.34) PPARDPPARAHRH3CACNA2D1LMNA
SCHEMBL666211 0.80 KDM4E (0.34) PPARDPPARA
SCHEMBL670411 0.80 NPC1 (0.45) HRH3LMNAMAPK1KCNH2
SCHEMBL660726 0.80 L3MBTL1 (0.46) HRH3LMNAMAPK1KCNH2ALDH1A1
SCHEMBL661735 0.78 PPARG (0.44) PPARA

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 PPARD 3/4885PPARA 1/4885HRH3 819/4885

“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.