SCHEMBL4714951

SCHEMBL4714951

C#CC[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)CO

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.70
LMNA P02545 8/20 0.70
CYP3A4 P08684 7/20 0.70
ALDH1A1 P00352 6/20 0.70
MAPT P10636 5/20 0.70
SHBG P04278 5/20 0.70
MAPK1 P28482 4/20 0.70
SERPINA6 P08185 4/20 0.70
HSD17B10 Q99714 4/20 0.70
ABCB11 O95342 2/20 0.70
HIF1A Q16665 6/20 0.57
TSHR P16473 5/20 0.57
CYP2C9 P11712 3/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
CYP2C19 P33261 3/20 0.57
SLC22A2 O15244 2/20 0.57
SLC22A1 O15245 2/20 0.57
SLC22A3 O75751 2/20 0.57
NR3C2 P08235 2/20 0.57

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
SCHEMBL4159071 0.90 ALDH1A1 (0.67) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
SCHEMBL927204 0.89 SMN1; SMN2 (0.77) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
SCHEMBL19327125 0.89 SMN1; SMN2 (0.77) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
SCHEMBL11211928 0.86 NR3C2 (0.73) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
SCHEMBL11211930 0.86 NR3C2 (0.73) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
Desoxycorticosterone SCHEMBL18891475 0.83 LMNA (1.00) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
Desoxycorticosterone SCHEMBL13752803 0.83 LMNA (1.00) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
Desoxycorticosterone SCHEMBL21243062 0.83 LMNA (1.00) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
Desoxycorticosterone SCHEMBL4065 0.83 LMNA (1.00) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT
Desoxycorticosterone SCHEMBL15763287 0.83 LMNA (1.00) SMN1; SMN2LMNACYP3A4ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0047016-B1 PROGESTERONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-14 EP claimed
EP-0047016-A1 Progesterone derivatives, process for their production, and pharmaceutical compositions MERRELL DOW PHARMACEUTICALS INC. (US) 1982-03-10 EP claimed
US-4293548-A DIURETICS, ALDOSTERONE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1981-10-06 US claimed
US-20140315808-A1 INHIBITION OF THE RENIN-ANGIOTENSIN SYSTEM FOR THE TREATMENT OF RENAL, VASCULAR AND CARTILAGE PATHOLOGY MOR RESEARCH APPLICATIONS LTD. (IL) 2014-10-23 US disclosed
EP-1937254-A2 INHIBITION OF THE RENIN-ANGIOTENSIN SYSTEM FOR THE TREATMENT OF RENAL, VASCULAR AND CARTILAGE PATHOLOGY MOR RESEARCH APPLICATIONS LTD. (IL) 2008-07-02 EP disclosed
WO-2007013078-A2 INHIBITION OF THE RENIN-ANGIOTENSIN SYSTEM FOR THE TREATMENT OF RENAL, VASCULAR AND CARTILAGE PATHOLOGY MOR RESEARCH APPLICATIONS LTD. (IL) 2007-02-01 WO disclosed
US-20040037806-A1 Aldosterone blocker therapy to prevent or treat inflammation-related disorders PHARMACIA CORPORATION 2004-02-26 US disclosed
US-20030162759-A1 Aldosterone blocker therapy to prevent or treat inflammation-related disorders PHARMACIA CORPORATION 2003-08-28 US disclosed
EP-0047016-B1 PROGESTERONE DERIVATIVES, PROCESS FOR THEIR PRODUCTION, AND PHARMACEUTICAL COMPOSITIONS MERRELL DOW PHARMACEUTICALS INC. (US) 1983-09-14 EP disclosed
EP-0047016-A1 Progesterone derivatives, process for their production, and pharmaceutical compositions MERRELL DOW PHARMACEUTICALS INC. (US) 1982-03-10 EP disclosed
US-4293548-A DIURETICS, ALDOSTERONE INHIBITORS MERRELL DOW PHARMACEUTICALS INC. (US) 1981-10-06 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 (2 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-20030162759-A1 Aldosterone blocker therapy to prevent or treat inflammation-related disorders NR3C2, SERPINA6, NR3C1 SMN1; SMN2 4308/4885LMNA 1133/4885CYP3A4 1394/4885
US-20040037806-A1 Aldosterone blocker therapy to prevent or treat inflammation-related disorders NR3C2, IL1RN, SERPINA6 SMN1; SMN2 4298/4885LMNA 1055/4885CYP3A4 2054/4885

“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.