SCHEMBL661833

SCHEMBL661833

CCCCc1nc(C)n(-c2ccc(OCC)cc2)c(=O)c1Cc1cc(CCC)c(Oc2ccccc2CC(=O)O)c(CCC)c1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.35
PPARD Q03181 5/20 0.35
PPARA Q07869 5/20 0.35
HRH3 Q9Y5N1 1/20 0.34
LTB4R Q15722 1/20 0.34
LTB4R2 Q9NPC1 1/20 0.34
TP53 P04637 2/20 0.34
MDM2 Q00987 1/20 0.33
CACNA2D1 P54289 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 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
SCHEMBL667884 0.92 TP53 (0.34) APLNRPPARDPPARAHRH3TP53
SCHEMBL666743 0.87 NPC1 (0.40) PPARDPPARAHRH3
SCHEMBL661745 0.84 PPARG (0.45) PPARA
SCHEMBL665635 0.83 PPARD (0.36) PPARDPPARAHRH3TP53CACNA2D1
SCHEMBL660776 0.82 CACNA2D1 (0.40) APLNRHRH3TP53CACNA2D1LMNA
SCHEMBL670411 0.82 NPC1 (0.45) HRH3LMNAMAPK1
SCHEMBL667883 0.81 PPARG (0.40) PPARAHRH3
SCHEMBL659532 0.81 LTB4R (0.35) LTB4RLTB4R2
SCHEMBL666226 0.79 PPARD (0.35) PPARDPPARA
SCHEMBL660726 0.79 L3MBTL1 (0.46) HRH3LMNAMAPK1

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 APLNR 710/4885PPARD 3/4885PPARA 1/4885

“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.