SCHEMBL418097

SCHEMBL418097

CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2C(=O)C[C@@H]2[C@H]4C[C@@](C)(C(=O)NO)CC[C@]4(C)CC[C@]23C)C1(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.60
HSD11B2 P80365 5/20 0.60
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
HSD17B1 P14061 1/20 0.48
HSD17B2 P37059 1/20 0.48
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ACHE P22303 1/20 0.41
PTPN1 P18031 1/20 0.41

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
SCHEMBL419871 0.92 HSD11B1 (0.51) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL421485 0.87 HSD11B1 (0.61) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL418948 0.86 HSD11B1 (0.57) HSD11B1HSD11B2CES2CES1MEN1
SCHEMBL17268560 0.86 HSD11B1 (0.47) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL421484 0.86 HSD11B1 (0.48) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL420589 0.85 HSD11B1 (0.46) HSD11B1HSD11B2CES2CES1MEN1
SCHEMBL417165 0.85 HSD11B1 (0.51) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL422954 0.85 HSD11B1 (0.56) HSD11B1HSD11B2ACHE
SCHEMBL1721886 0.82 PTPN1 (0.47) HSD11B1HSD11B2CES2CES1MEN1
SCHEMBL20130320 0.81 HSD11B1 (0.42) HSD11B1HSD11B2CES2CES1HSD17B1

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 HSD11B1 1/4885HSD11B2 3/4885CES2 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.