SCHEMBL664807

SCHEMBL664807

C=CCc1ccc(C)c(CC2(NC(=O)O)CC2C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CYP3A4 P08684 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PTGS1 P23219 2/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
XDH P47989 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALOX5 P09917 2/20 0.31
ALDH1A1 P00352 2/20 0.31
ALDH2 P05091 1/20 0.31
GAA P10253 1/20 0.31
GABRA1 P14867 1/20 0.31

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
SCHEMBL662366 0.89 PPARA (0.33) PPARAMEN1KMT2ANPC1RAB9A
SCHEMBL663047 0.83 ALDH1A1 (0.30) ALDH1A1
SCHEMBL1072360 0.80 MAPK1 (0.35) LMNAALDH1A1GAACNR1NPSR1
SCHEMBL4357162 0.79 PTGS1 (0.36) PPARAMEN1KMT2ANPC1RAB9A
SCHEMBL664805 0.72 PPARA (0.34) PPARAMEN1KMT2ANPC1RAB9A
SCHEMBL4357159 0.69 KDM4E (0.37) PPARAMEN1KMT2ANPC1RAB9A
SCHEMBL664808 0.68 PPARA (0.35) PPARAMEN1KMT2ANPC1RAB9A
SCHEMBL9003492 0.67 GABRA1 (0.49) PPARAMEN1KMT2ACYP3A4TDP1
SCHEMBL662617 0.66 XDH (0.35) PPARAMEN1KMT2ANPC1RAB9A
Phthalic Acid SCHEMBL1179813 0.66 MEN1 (0.44) PPARAMEN1KMT2ACYP3A4TDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046293-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2012-02-23 US disclosed
US-8063105-B2 Renin inhibitors MERCK CANADA INC. (CA) 2011-11-22 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-20120046293-A1 RENIN INHIBITORS REN, ACE, AGTR1 PPARA 1405/4885MEN1 3395/4885KMT2A 4587/4885

“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.