SCHEMBL667884

SCHEMBL667884

CCCCc1nc(C)n(-c2ccc(OCC)cc2)c(=O)c1Cc1cc(CCC)c(Oc2c(C)cccc2CC(=O)O)c(CCC)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.34
CACNA2D1 P54289 1/20 0.34
HRH3 Q9Y5N1 3/20 0.34
KCNH2 Q12809 2/20 0.34
APLNR P35414 1/20 0.34
CCR2 P41597 1/20 0.33
CCR5 P51681 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CXCR3 P49682 1/20 0.32

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
SCHEMBL666743 0.93 NPC1 (0.40) HRH3KCNH2CCR2CCR5PPARD
SCHEMBL661833 0.92 APLNR (0.35) TP53CACNA2D1HRH3APLNRPPARD
SCHEMBL666226 0.85 PPARD (0.35) CCR2CCR5PPARDPPARA
SCHEMBL667423 0.84 PTGER4 (0.36) CCR2CCR5PPARDPPARA
SCHEMBL660776 0.83 CACNA2D1 (0.40) TP53CACNA2D1HRH3KCNH2APLNR
SCHEMBL665635 0.82 PPARD (0.36) TP53CACNA2D1HRH3KCNH2PPARD
SCHEMBL667685 0.82 CCR2 (0.31) CCR2CCR5
SCHEMBL661745 0.82 PPARG (0.45) PPARA
SCHEMBL670411 0.81 NPC1 (0.45) HRH3KCNH2CCR2CCR5LMNA
SCHEMBL667706 0.81 CCR2 (0.34) CCR2CCR5KMT2AMEN1

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 TP53 1997/4885CACNA2D1 1607/4885HRH3 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.