SCHEMBL956546

SCHEMBL956546

COc1ccc(C(C)N(CCC(C)=O)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALOX5 P09917 1/20 0.46
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
TAS2R14 Q9NYV8 1/20 0.40
BMP1 P13497 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LDHA P00338 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL21025254 0.87 ALOX5 (0.55) MEN1KMT2AALOX5ALDH1A1MAPT
SCHEMBL960788 0.83 ALOX5 (0.45) MEN1KMT2AALOX5ALDH1A1
SCHEMBL12434956 0.83 MEN1 (0.48) MEN1KMT2AALOX5ALDH1A1MAPT
SCHEMBL956469 0.83 ALOX5 (0.41) MEN1KMT2AALOX5ALDH1A1MAPT
SCHEMBL956471 0.83 ALOX5 (0.41) MEN1KMT2AALOX5ALDH1A1MAPT
SCHEMBL21165510 0.79 ALOX5 (0.55) MEN1KMT2AALOX5CNR1CNR2
SCHEMBL18627263 0.74 ALOX5 (0.46) MEN1KMT2AALOX5ALDH1A1HSD17B10
SCHEMBL21798487 0.73 ALOX5 (0.54) MEN1KMT2AALOX5ALDH1A1HSD17B10
SCHEMBL21798482 0.73 ALOX5 (0.54) MEN1KMT2AALOX5ALDH1A1HSD17B10
SCHEMBL21024869 0.73 ALOX5 (0.51) MEN1KMT2AALOX5ALDH1A1CNR2

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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals ,Inc. 2011-01-20 US disclosed
EP-2183228-A1 CYCLIC INHIBITORS OF 11ß -HYDROXYSTERIOD DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2010-05-12 EP disclosed
WO-2009017664-A1 CYCLIC INHIBITORS OF 11β-HYDROXYSTERIOD DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 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-20110015157-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 MEN1 2026/4885KMT2A 4200/4885ALOX5 1148/4885

“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.