SCHEMBL15513622

SCHEMBL15513622

COC(=O)C1(C)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC(C)=O)C(C)(C)C5CCC43C)C2C1

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.81
KMT2A Q03164 1/20 0.81
CES2 O00748 6/20 0.68
CES1 P23141 6/20 0.68
PTPN1 P18031 2/20 0.67
USP2 O75604 1/20 0.67
ALOX5 P09917 1/20 0.63
PIN1 Q13526 2/20 0.62
HSD11B1 P28845 2/20 0.61
HSD11B2 P80365 2/20 0.61
HSD17B1 P14061 1/20 0.61
HSD17B2 P37059 1/20 0.61

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
SCHEMBL11523338 1.00 MEN1 (0.81) MEN1KMT2ACES2CES1PTPN1
SCHEMBL11523332 1.00 MEN1 (0.81) MEN1KMT2ACES2CES1PTPN1
SCHEMBL420190 0.92 MEN1 (0.77) MEN1KMT2ACES2CES1PTPN1
SCHEMBL420709 0.91 MEN1 (0.79) MEN1KMT2ACES2CES1PTPN1
SCHEMBL9346773 0.91 MEN1 (0.81) MEN1KMT2ACES2CES1PTPN1
SCHEMBL9346767 0.91 MEN1 (0.81) MEN1KMT2ACES2CES1PTPN1
Beta-Amyrin Acetate SCHEMBL4938185 0.90 MEN1 (1.00) MEN1KMT2APTPN1USP2ALOX5
Beta-Amyrin Acetate SCHEMBL29437228 0.90 MEN1 (1.00) MEN1KMT2APTPN1USP2ALOX5
Beta-Amyrin Acetate SCHEMBL4938189 0.90 MEN1 (1.00) MEN1KMT2APTPN1USP2ALOX5
Beta-Amyrin Acetate SCHEMBL29602022 0.90 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2892910-B1 GLYCYRRHETINIC ACID DERIVATIVES WITH ANTI-INFLAMMATORY ACTIVITY ABBVIE INC (US) 2016-09-07 EP disclosed
US-20140073700-A1 GLYCYRRHETINIC ACID DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC. 2014-03-13 US 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-20140073700-A1 GLYCYRRHETINIC ACID DERIVATIVES AND METHODS OF USE THEREOF MPO, GSR, AGER MEN1 4265/4885KMT2A 4447/4885CES2 3192/4885

“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.