SCHEMBL660776

SCHEMBL660776

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 1/20 0.40
MAPT P10636 2/20 0.38
APLNR P35414 1/20 0.38
HRH3 Q9Y5N1 7/20 0.38
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 6/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
DHFR P00374 1/20 0.36
ALDH1A1 P00352 3/20 0.35
GAA P10253 1/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35

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
SCHEMBL660726 0.90 L3MBTL1 (0.46) HRH3LMNAMAPK1KCNH2CYP1A2
SCHEMBL659793 0.89 APLNR (0.37) MAPTAPLNRHRH3MAPK1KDM4E
SCHEMBL660881 0.87 DHFR (0.38) MAPTAPLNRKDM4ECYP1A2POLB
SCHEMBL665635 0.83 PPARD (0.36) CACNA2D1MAPTHRH3TP53LMNA
SCHEMBL667884 0.83 TP53 (0.34) CACNA2D1MAPTAPLNRHRH3TP53
SCHEMBL661745 0.83 PPARG (0.45)
SCHEMBL661833 0.82 APLNR (0.35) CACNA2D1APLNRHRH3TP53LMNA
SCHEMBL667883 0.82 PPARG (0.40) HRH3
SCHEMBL663011 0.81 APLNR (0.40) APLNRDHFR
SCHEMBL661904 0.80 DPP4 (0.39) MAPTKDM4ECYP1A2POLBCYP3A4

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 CACNA2D1 1607/4885MAPT 4322/4885APLNR 710/4885

“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.