SCHEMBL18387204

SCHEMBL18387204

COC(=O)C1CC2=CC(=O)CC[C@]2(C)[C@@]23C[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 5/20 0.74
PGR P06401 5/20 0.74
AR P10275 5/20 0.74
NR3C2 P08235 3/20 0.74
LMNA P02545 4/20 0.45
CYP3A4 P08684 2/20 0.45
CHRM2 P08172 2/20 0.45
OPRK1 P41145 2/20 0.45
NFKB1 P19838 1/20 0.45
HIF1A Q16665 1/20 0.45
ABCB11 O95342 1/20 0.45
ESR1 P03372 1/20 0.45
ABCB1 P08183 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
HTR2B P41595 1/20 0.45
ESR2 Q92731 1/20 0.45
SLC47A1 Q96FL8 1/20 0.45
RAB9A P51151 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL19505433 1.00 NR3C1 (0.74) NR3C1PGRARNR3C2LMNA
SCHEMBL14592050 0.86 NR3C1 (0.74) NR3C1PGRARNR3C2LMNA
SCHEMBL14284956 0.86 NR3C1 (0.74) NR3C1PGRARNR3C2LMNA
Eplerenone SCHEMBL1818157 0.85 NR3C1 (1.00) NR3C1PGRARNR3C2LMNA
Eplerenone SCHEMBL14284960 0.85 NR3C1 (1.00) NR3C1PGRARNR3C2LMNA
Eplerenone SCHEMBL16144481 0.85 NR3C1 (1.00) NR3C1PGRARNR3C2LMNA
Eplerenone SCHEMBL13007056 0.85 NR3C1 (1.00) NR3C1PGRARNR3C2LMNA
Eplerenone SCHEMBL13061287 0.85 NR3C1 (1.00) NR3C1PGRARNR3C2LMNA
Eplerenone SCHEMBL21515 0.85 NR3C1 (1.00) NR3C1PGRARNR3C2LMNA
Eplerenone SCHEMBL14308852 0.85 NR3C1 (1.00) NR3C1PGRARNR3C2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170015688-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS NOVARTIS AG (CH) 2017-01-19 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-20170015688-A1 SUBSTITUTED BISPHENYL BUTANOIC PHOSPHONIC ACID DERIVATIVES AS NEP INHIBITORS MME, REN, ENPP1 NR3C1 769/4885PGR 2235/4885AR 1985/4885

“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.