SCHEMBL70333

SCHEMBL70333

CCOC(=O)C(=O)CC(=O)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.73

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.73
MAOB P27338 3/20 0.60
NR4A2 P43354 2/20 0.59
SMPD1 P17405 2/20 0.57
SRD5A2 P31213 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GPR132 Q9UNW8 1/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NR1H4 Q96RI1 2/20 0.51
CYP19A1 P11511 1/20 0.50
ERCC5 P28715 1/20 0.50
FEN1 P39748 1/20 0.50
FAAH O00519 1/20 0.50
CNR2 P34972 1/20 0.50

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
SCHEMBL12182938 0.92 MAOB (0.63) PTPN1MAOBNR4A2SMPD1NR1H4
SCHEMBL31130421 0.89 PTPN1 (0.78) PTPN1MAOBNR4A2SMPD1SRD5A2
SCHEMBL1819500 0.88 PTPN1 (0.68) PTPN1MAOBNR4A2SMPD1SRD5A2
SCHEMBL31130133 0.87 SMN1; SMN2 (0.53) PTPN1ALDH1A1MEN1KMT2ANR1H4
SCHEMBL12182447 0.87 PTPN1 (0.55) PTPN1MAOBNR4A2SMPD1NR1H4
SCHEMBL70341 0.86 ALDH1A1 (0.63) PTPN1MAOBNR4A2SRD5A2ALDH1A1
SCHEMBL17978704 0.85 MAOB (0.66) PTPN1MAOBNR4A2SMPD1SRD5A2
SCHEMBL6951340 0.84 PTPN1 (1.00) PTPN1MAOBNR4A2SMPD1SRD5A2
SCHEMBL4950266 0.82 MAOB (0.63) PTPN1MAOBNR4A2SMPD1SRD5A2
SCHEMBL12182346 0.82 SMN1; SMN2 (0.51) PTPN1ALDH1A1MEN1KMT2AERCC5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8129376-B2 Piperidine derivatives as inhibitors of stearoyl-CoA desaturase AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2012-03-06 US disclosed
EP-2268143-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE Forest Laboratories Holdings Limited (BM) 2011-01-05 EP disclosed
WO-2009117676-A2 NOVEL PIPERIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 WO disclosed
US-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-24 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-20090239810-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 PTPN1 4658/4885MAOB 1648/4885NR4A2 2165/4885

“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.