SCHEMBL420054

SCHEMBL420054

CC(=O)O[C@H]1CC[C@@]2(C)C(CC[C@]3(C)[C@@H]2C(=O)C=C2[C@@H]4C[C@@](C)(C(=O)NOCc5ccccc5)CC[C@]4(C)CC[C@]23C)C1(C)C

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 7/20 0.75
HSD11B2 P80365 7/20 0.75
CES2 O00748 3/20 0.73
CES1 P23141 3/20 0.73
HSD17B2 P37059 2/20 0.73
HSD17B1 P14061 1/20 0.73
CHRM2 P08172 1/20 0.62
HTR1A P08908 1/20 0.62
ADRA2A P08913 1/20 0.62
PTPN1 P18031 1/20 0.62
CNR1 P21554 1/20 0.62
HTR2A P28223 1/20 0.62
ADRA1A P35348 1/20 0.62
HTR2B P41595 1/20 0.62
PDE4D Q08499 1/20 0.62

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
SCHEMBL10124467 1.00 HSD11B1 (0.75) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL10124470 0.90 HSD11B1 (0.76) HSD11B1HSD11B2CES2CES1PTPN1
SCHEMBL420169 0.90 HSD11B1 (0.71) HSD11B1HSD11B2CES2CES1PTPN1
SCHEMBL418168 0.90 HSD11B1 (0.76) HSD11B1HSD11B2CES2CES1PTPN1
SCHEMBL423257 0.90 HSD11B1 (0.81) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL10124483 0.89 HSD11B1 (0.73) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL10124476 0.89 HSD11B1 (0.73) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL419694 0.89 HSD11B1 (0.73) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL418411 0.89 HSD11B1 (0.73) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL10124472 0.89 HSD11B1 (0.78) HSD11B1HSD11B2CES2CES1HSD17B2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022154-A1 N-HYDROXY C29-AMIDE DERIVATIVES OF OLEANDRANE ONEPHARM RESEARCH & DEVELOPMENT GMBH (AT) 2012-01-26 US claimed
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.