SCHEMBL422925

SCHEMBL422925

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

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HSD11B2 P80365 10/20 0.77
HSD11B1 P28845 9/20 0.77
POLB P06746 1/20 0.77
MAPT P10636 1/20 0.77
APEX1 P27695 1/20 0.77
CES2 O00748 4/20 0.61
CES1 P23141 4/20 0.61
HSD17B1 P14061 1/20 0.57
HSD17B2 P37059 1/20 0.57

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
SCHEMBL417984 0.92 HSD11B2 (0.73) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL10124431 0.90 HSD11B2 (0.81) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL421434 0.90 HSD11B2 (0.81) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL20160598 0.90 HSD11B2 (0.81) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL18348596 0.90 HSD11B2 (0.81) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL419146 0.90 HSD11B2 (0.71) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL416934 0.89 HSD11B2 (0.82) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL21352212 0.88 HSD11B2 (0.84) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL21366550 0.88 HSD11B2 (0.84) HSD11B2HSD11B1POLBMAPTAPEX1
SCHEMBL20160630 0.88 HSD11B2 (0.84) HSD11B2HSD11B1POLBMAPTAPEX1

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 HSD11B2 3/4885HSD11B1 1/4885POLB 2206/4885

“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.