SCHEMBL17305201

SCHEMBL17305201

COC(=O)C(OC)(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(OC)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.53
CYP3A4 P08684 1/20 0.53
SERPINH1 P50454 1/20 0.44
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
HSP90AA1 P07900 2/20 0.43
HPGD P15428 2/20 0.43
NTSR1 P30989 1/20 0.43
GAA P10253 4/20 0.42
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 2/20 0.40
CNR1 P21554 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 2/20 0.39
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.38
TDP2 O95551 1/20 0.38
CASP3 P42574 1/20 0.38
BLM P54132 1/20 0.38

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
SCHEMBL19078330 0.86 ALDH1A1 (0.55) ALDH1A1CYP3A4SERPINH1MAPTLMNA
SCHEMBL4305768 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4KMT2ANPSR1MEN1
SCHEMBL4305771 0.83 ALDH1A1 (0.61) ALDH1A1CYP3A4KMT2ANPSR1MEN1
SCHEMBL19087893 0.80 NPSR1 (0.44) ALDH1A1GAAKMT2ANPSR1L3MBTL1
SCHEMBL18632082 0.74 ALDH1A1 (0.51) ALDH1A1CYP3A4SERPINH1MAPTLMNA
SCHEMBL1320868 0.73 SERPINH1 (0.47) ALDH1A1CYP3A4SERPINH1MAPTLMNA
SCHEMBL1320865 0.73 SERPINH1 (0.47) ALDH1A1CYP3A4SERPINH1MAPTLMNA
SCHEMBL27165034 0.73 SERPINH1 (0.47) ALDH1A1CYP3A4SERPINH1MAPTLMNA
SCHEMBL10678849 0.73 ALDH1A1 (0.62) ALDH1A1CYP3A4SERPINH1MAPTLMNA
SCHEMBL6227187 0.73 ALDH1A1 (0.62) ALDH1A1CYP3A4KMT2ANPSR1

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-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MITSUBISHI TANABE PHARMA CORPORATION (JP) 2017-07-06 US disclosed
WO-2015182723-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST 田辺三菱製薬株式会社 2015-12-03 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-20170190697-A1 NOVEL PYRROLIDINE COMPOUND AND APPLICATION AS MELANOCORTIN RECEPTOR AGONIST MC1R, MC5R, MC3R ALDH1A1 1837/4885CYP3A4 2357/4885SERPINH1 2430/4885

“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.