SCHEMBL420853

SCHEMBL420853

CC1(C(=O)O)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 10/20 1.00
HSD11B2 P80365 10/20 1.00
MAPT P10636 3/20 1.00
POLB P06746 1/20 1.00
APEX1 P27695 1/20 1.00
PTPN1 P18031 4/20 0.73
CES2 O00748 3/20 0.73
CES1 P23141 3/20 0.73
CYP3A4 P08684 2/20 0.73
MEN1 O00255 1/20 0.73
AKR1B10 O60218 1/20 0.73
LMNA P02545 1/20 0.73
ALOX5 P09917 1/20 0.73
PRKCH P24723 1/20 0.73
PTPN6 P29350 1/20 0.73
KMT2A Q03164 1/20 0.73
PTPN11 Q06124 1/20 0.73
SLCO1B3 Q9NPD5 1/20 0.73
SLCO1B1 Q9Y6L6 1/20 0.73
TSHR P16473 1/20 0.73

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
SCHEMBL11186596 1.00 HSD11B1 (1.00) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL1721435 1.00 HSD11B1 (1.00) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL18348593 1.00 HSD11B1 (1.00) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL420854 1.00 HSD11B1 (1.00) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL11186600 1.00 HSD11B1 (1.00) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL1721438 1.00 HSD11B1 (1.00) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL13056500 1.00 HSD11B1 (1.00) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL25367147 0.91 HSD11B2 (0.84) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL20160630 0.91 HSD11B2 (0.84) HSD11B1HSD11B2MAPTPOLBAPEX1
SCHEMBL21352212 0.91 HSD11B2 (0.84) HSD11B1HSD11B2MAPTPOLBAPEX1

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-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
US-4395423-A Polycyclic cyanoketones STERLING DRUG INC. (US) 1983-07-26 US disclosed
EP-0009801-A1 Pharmaceutical compositions containing polycyclic cyanoketones STERLING DRUG INC. (US) 1980-04-16 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 3/4885MAPT 4272/4885

“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.