SCHEMBL4357162

SCHEMBL4357162

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.36
CYP3A4 P08684 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
XDH P47989 1/20 0.36
MAPT P10636 3/20 0.35
CYP1A2 P05177 1/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ALDH1A1 P00352 3/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH2 P05091 1/20 0.35
GAA P10253 1/20 0.35
GABRA1 P14867 1/20 0.35
AKR1B1 P15121 1/20 0.35
HPGD P15428 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
SCHEMBL662617 0.86 XDH (0.35) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL664807 0.79 PPARA (0.34) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL663479 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL664805 0.75 PPARA (0.34) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL9003492 0.72 GABRA1 (0.49) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL4357159 0.72 KDM4E (0.37) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL664808 0.71 PPARA (0.35) PTGS1CYP3A4MEN1KMT2ATDP1
Phthalic Acid SCHEMBL1179813 0.70 MEN1 (0.44) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL20831073 0.68 ALDH1A1 (0.42) PTGS1CYP3A4MEN1KMT2ATDP1
SCHEMBL662366 0.68 PPARA (0.33) PTGS1CYP3A4MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090281103-A1 Renin Inhibitors MERCK CANADA INC. (CA) 2009-11-12 US disclosed
EP-1910272-A1 RENIN INHIBITORS Merck Frosst Canada Ltd. (CA) 2008-04-16 EP disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO 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-20090281103-A1 Renin Inhibitors REN, ACE, AGT PTGS1 387/4885CYP3A4 531/4885MEN1 3226/4885

“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.