SCHEMBL417930

SCHEMBL417930

CONC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)[C@@H]2C1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.77
ALOX5 P09917 3/20 0.77
CES2 O00748 2/20 0.77
HSD11B1 P28845 1/20 0.73
HSD11B2 P80365 1/20 0.73
USP2 O75604 1/20 0.69
PTPN1 P18031 7/20 0.64
EGLN2 Q96KS0 1/20 0.61
EGLN1 Q9GZT9 1/20 0.61
EGLN3 Q9H6Z9 1/20 0.61
P4HTM Q9NXG6 1/20 0.61
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
PTPN2 P17706 2/20 0.59
ALOX15 P16050 1/20 0.59
PSMB11 A5LHX3 1/20 0.59
PSMA7 O14818 1/20 0.59
AKR1B10 O60218 1/20 0.59
PLA2G1B P04054 1/20 0.59
POLB P06746 1/20 0.59

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
SCHEMBL419304 0.91 CES2 (0.63) CES1ALOX5CES2HSD11B1HSD11B2
Katonic Acid Methyl Ester SCHEMBL15513664 0.90 CES1 (0.82) CES1ALOX5CES2USP2PTPN1
SCHEMBL418916 0.90 CES1 (0.81) CES1ALOX5CES2HSD11B1HSD11B2
Katonic Acid Methyl Ester SCHEMBL9525631 0.90 CES1 (0.82) CES1ALOX5CES2USP2PTPN1
Katonic Acid Methyl Ester SCHEMBL9525636 0.90 CES1 (0.82) CES1ALOX5CES2USP2PTPN1
Katonic Acid Methyl Ester SCHEMBL24212353 0.90 CES1 (0.82) CES1ALOX5CES2USP2PTPN1
SCHEMBL421468 0.89 CES2 (0.60) CES1ALOX5CES2HSD11B1HSD11B2
SCHEMBL420190 0.89 MEN1 (0.77) CES1ALOX5CES2HSD11B1HSD11B2
SCHEMBL9526048 0.88 CES1 (0.84) CES1ALOX5CES2USP2PTPN1
SCHEMBL1721239 0.88 CES1 (0.84) CES1ALOX5CES2USP2PTPN1

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 CES1 81/4885ALOX5 1047/4885CES2 1285/4885

“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.