SCHEMBL420190

SCHEMBL420190

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

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
PTPN1 P18031 4/20 0.64
USP2 O75604 1/20 0.64
HSD11B1 P28845 4/20 0.63
HSD11B2 P80365 4/20 0.63
CES2 O00748 5/20 0.61
CES1 P23141 5/20 0.61
ALOX5 P09917 1/20 0.60
HSD17B1 P14061 1/20 0.59
HSD17B2 P37059 1/20 0.59
PIN1 Q13526 2/20 0.56
POLB P06746 1/20 0.55
RECQL P46063 1/20 0.55
PTPN2 P17706 1/20 0.54

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
SCHEMBL420709 0.92 MEN1 (0.79) MEN1KMT2APTPN1USP2HSD11B1
SCHEMBL11523332 0.92 MEN1 (0.81) MEN1KMT2APTPN1USP2HSD11B1
SCHEMBL15513622 0.92 MEN1 (0.81) MEN1KMT2APTPN1USP2HSD11B1
SCHEMBL11523338 0.92 MEN1 (0.81) MEN1KMT2APTPN1USP2HSD11B1
SCHEMBL417930 0.89 CES1 (0.77) MEN1KMT2APTPN1USP2HSD11B1
SCHEMBL419304 0.89 CES2 (0.63) MEN1KMT2APTPN1USP2HSD11B1
SCHEMBL9346773 0.89 MEN1 (0.81) MEN1KMT2APTPN1USP2HSD11B1
SCHEMBL9346767 0.89 MEN1 (0.81) MEN1KMT2APTPN1USP2HSD11B1
SCHEMBL421468 0.88 CES2 (0.60) MEN1KMT2APTPN1USP2HSD11B1
Beta-Amyrin Acetate SCHEMBL4938185 0.88 MEN1 (1.00) MEN1KMT2APTPN1USP2ALOX5

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 MEN1 2790/4885KMT2A 3290/4885PTPN1 4379/4885

“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.