SCHEMBL420141

SCHEMBL420141

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

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.78
HSD11B2 P80365 5/20 0.78
CES2 O00748 4/20 0.75
CES1 P23141 4/20 0.75
HSD17B1 P14061 1/20 0.75
HSD17B2 P37059 1/20 0.75
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
HSD17B10 Q99714 1/20 0.60
LMNA P02545 1/20 0.60
SLCO1B3 Q9NPD5 1/20 0.60
SLCO1B1 Q9Y6L6 1/20 0.60

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
SCHEMBL419217 0.93 HSD11B1 (0.77) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL422762 0.93 HSD11B1 (0.76) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL418417 0.92 HSD11B1 (0.75) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL416880 0.92 HSD11B1 (0.75) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL420184 0.92 HSD11B1 (0.84) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL420995 0.89 CES2 (0.73) HSD11B1HSD11B2CES2CES1PTPN1
SCHEMBL422500 0.89 HSD11B1 (0.85) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL10124432 0.89 HSD11B1 (0.85) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL418088 0.89 HSD11B1 (0.85) HSD11B1HSD11B2CES2CES1HSD17B1
SCHEMBL418822 0.89 HSD11B1 (0.85) 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.