SCHEMBL419756

SCHEMBL419756

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)N(C)OCc5ccccc5)CC[C@]4(C)CC[C@]23C)C1(C)C

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.75
HSD11B2 P80365 6/20 0.75
CES2 O00748 3/20 0.72
CES1 P23141 3/20 0.72
HSD17B2 P37059 2/20 0.72
HSD17B1 P14061 1/20 0.72
CHRM2 P08172 1/20 0.61
HTR1A P08908 1/20 0.61
ADRA2A P08913 1/20 0.61
PTPN1 P18031 1/20 0.61
CNR1 P21554 1/20 0.61
HTR2A P28223 1/20 0.61
ADRA1A P35348 1/20 0.61
HTR2B P41595 1/20 0.61
PDE4D Q08499 1/20 0.61
PIN1 Q13526 1/20 0.59
HSD17B10 Q99714 1/20 0.58
LMNA P02545 1/20 0.58

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
SCHEMBL423429 0.91 HSD11B1 (0.83) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL421002 0.90 CES2 (0.69) HSD11B1HSD11B2CES2CES1PTPN1
SCHEMBL421994 0.90 HSD11B1 (0.70) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL423144 0.89 HSD11B1 (0.78) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL421152 0.89 HSD11B1 (0.71) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL10124432 0.88 HSD11B1 (0.85) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL418088 0.88 HSD11B1 (0.85) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL422500 0.88 HSD11B1 (0.85) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL421172 0.88 HSD11B1 (0.85) HSD11B1HSD11B2CES2CES1HSD17B2
SCHEMBL418822 0.88 HSD11B1 (0.85) 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 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.