SCHEMBL421830

SCHEMBL421830

CC(=O)N[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2CC=C2[C@@H]4C[C@@](C)(C(=O)N(C)O)CC[C@]4(C)CC[C@]23C)C1(C)C

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.61
CES1 P23141 5/20 0.61
ALOX5 P09917 4/20 0.61
HSD11B2 P80365 3/20 0.58
HSD11B1 P28845 2/20 0.58
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
USP2 O75604 1/20 0.55
ALOX15 P16050 1/20 0.51
PTPN1 P18031 1/20 0.51

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
SCHEMBL422875 0.91 CES2 (0.59) CES2CES1ALOX5HSD11B2HSD11B1
SCHEMBL420173 0.88 CES2 (0.63) CES2CES1ALOX5HSD11B2HSD11B1
SCHEMBL417098 0.88 CES1 (0.79) CES2CES1ALOX5USP2ALOX15
SCHEMBL418838 0.88 CES2 (0.65) CES2CES1ALOX5HSD11B2HSD11B1
SCHEMBL421468 0.85 CES2 (0.60) CES2CES1ALOX5HSD11B2HSD11B1
SCHEMBL421474 0.85 MEN1 (0.77) CES2CES1ALOX5HSD11B2HSD11B1
SCHEMBL419250 0.85 HSD11B2 (0.81) CES2CES1ALOX5HSD11B2HSD11B1
SCHEMBL10124489 0.85 HSD11B2 (0.81) CES2CES1ALOX5HSD11B2HSD11B1
SCHEMBL421178 0.85 HSD11B2 (0.81) CES2CES1ALOX5HSD11B2HSD11B1
SCHEMBL419669 0.85 HSD11B2 (0.81) CES2CES1ALOX5HSD11B2HSD11B1

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-8476315-B2 N-hydroxy C29-amide derivatives of oleandrane ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2013-07-02 US disclosed
US-20120022154-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-26 US disclosed
EP-2228380-A1 Novel triterpene derivatives onepharm Research & Development GmbH (AT) 2010-09-15 EP 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-20120022154-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE HSD11B1, CYP11B1, HSD11B2 CES2 1285/4885CES1 81/4885ALOX5 1047/4885

“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.