SCHEMBL420173

SCHEMBL420173

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)NO)CC[C@]4(C)CC[C@]23C)C1(C)C

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.63
CES1 P23141 4/20 0.63
ALOX5 P09917 3/20 0.63
HSD11B1 P28845 3/20 0.60
HSD11B2 P80365 3/20 0.60
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
EGLN2 Q96KS0 2/20 0.56
EGLN1 Q9GZT9 2/20 0.56
EGLN3 Q9H6Z9 2/20 0.56
P4HTM Q9NXG6 2/20 0.56
USP2 O75604 1/20 0.56
ALOX15 P16050 1/20 0.52
PTPN1 P18031 1/20 0.52

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
SCHEMBL421468 0.91 CES2 (0.60) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL418916 0.88 CES1 (0.81) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL421830 0.88 CES2 (0.61) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL423151 0.87 CES2 (0.65) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL420709 0.86 MEN1 (0.79) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL422875 0.85 CES2 (0.59) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL10124480 0.84 HSD11B1 (0.84) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL421543 0.84 HSD11B1 (0.84) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL419994 0.84 HSD11B1 (0.84) CES2CES1ALOX5HSD11B1HSD11B2
SCHEMBL10124486 0.84 HSD11B1 (0.84) CES2CES1ALOX5HSD11B1HSD11B2

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.