SCHEMBL7614985

SCHEMBL7614985

COC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.80
PSEN2 P49810 1/20 0.80
APH1B Q8WW43 1/20 0.80
NCSTN Q92542 1/20 0.80
APH1A Q96BI3 1/20 0.80
PSENEN Q9NZ42 1/20 0.80
LMNA P02545 8/20 0.79
CYP3A4 P08684 7/20 0.79
ALDH1A1 P00352 6/20 0.79
SMN1; SMN2 Q16637 5/20 0.79
MAPT P10636 5/20 0.79
MAPK1 P28482 4/20 0.79
TSHR P16473 4/20 0.79
SHBG P04278 4/20 0.79
SERPINA6 P08185 4/20 0.79
NR3C1 P04150 4/20 0.79
PGR P06401 4/20 0.79
AR P10275 3/20 0.79
GPBAR1 Q8TDU6 3/20 0.79
SIGMAR1 Q99720 3/20 0.79

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
SCHEMBL12423994 1.00 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL7614986 1.00 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5907025 1.00 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23784699 0.88 LMNA (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL12424000 0.88 LMNA (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
Progesterone SCHEMBL23568915 0.88 CYP3A4 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
Progesterone SCHEMBL12090497 0.88 CYP3A4 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23784700 0.88 LMNA (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23784747 0.88 LMNA (0.83) PSEN1PSEN2APH1BNCSTNAPH1A
Progesterone SCHEMBL3932110 0.88 CYP3A4 (1.00) PSEN1PSEN2APH1BNCSTNAPH1A

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 105 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104277089-A Preparation method of androst-17 beta-carboxylic acid HUNAN KEREY BIOTECHNOLOGY CO LTD 2015-01-14 CN claimed
CN-101531698-A Synthesis technology of finasteride HALLOCHEM PHARMA CO LTD 2009-09-16 CN claimed
CN-117946200-A Eplerenone intermediate and preparation method thereof 江苏联环药业股份有限公司 2024-04-30 CN disclosed
CN-105017363-A Synthesis methods of 4-androsten-3-one-17-beta-carboxylic acid and methyl 4-androsten-3-one-17-beta-carboxylate HUNAN KERUI BIOTECHNOLOGY CO LTD 2015-11-04 CN disclosed
CN-105017363-A Synthesis methods of 4-androsten-3-one-17-beta-carboxylic acid and methyl 4-androsten-3-one-17-beta-carboxylate HUNAN KERUI BIOTECHNOLOGY CO LTD 2015-11-04 CN disclosed
CN-104277089-A Preparation method of androst-17 beta-carboxylic acid HUNAN KEREY BIOTECHNOLOGY CO LTD 2015-01-14 CN disclosed
CN-101863954-B Preparation method of N-tert-butyl-4-aza-5 alpha-androstane-3-ketone-17 beta-formamide ZHEJIANG XIANJU YANGGUANG BIOPRODUCTS CO LTD 2014-04-02 CN disclosed
CN-101863954-A Preparation method of N-tert-butyl-4-aza-5 alpha-androstane-3-ketone-17 beta-formamide ZHEJIANG XIANJU YANGGUANG BIOPRODUCTS CO LTD 2010-10-20 CN disclosed
CN-101531698-A Synthesis technology of finasteride HALLOCHEM PHARMA CO LTD 2009-09-16 CN disclosed
US-6432971-B2 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2002-08-13 US disclosed
US-20010049376-A1 Method of prevention of prostatic carcinoma with 17beta-N-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO., INC. 2001-12-06 US disclosed
EP-0271219-A1 Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one MERCK & CO. INC. (US) 1988-06-15 EP disclosed
EP-0155096-A2 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors MERCK & CO. INC. (US) 1985-09-18 EP disclosed
EP-0004949-B1 4-AZA-17-SUBSTITUTED-5-ALPHA-ANDROSTAN-3-ONE, THEIR A AND D HOMO ANALOGS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-09-21 EP disclosed
US-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US disclosed
US-4220775-A Preparation of 4-aza-17-substituted-5α-androstan-3-ones useful as 5α-reductase inhibitors MERCK & CO., INC. (US) 1980-09-02 US disclosed
US-4191759-A N-substituted-17β-carbamoylandrost-4-en-3-one 5α reductase inhibitors MERCK & CO., INC. (US) 1980-03-04 US disclosed
US-4179453-A Process for preparing 17β-carboxy-5-androsten-3-ones MERCK & CO., INC. (US) 1979-12-18 US disclosed
EP-0004949-A1 4-Aza-17-substituted-5-alpha-androstan-3-one, their A and D homo analogs, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1979-10-31 EP disclosed
US-4092413-A Antiandrogens as platelet aggregation inhibitors MERCK & CO., INC. (US) 1978-05-30 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-20010049376-A1 Method of prevention of prostatic carcinoma with 17beta-N-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones NR5A1, CYP17A1, HSD17B7 PSEN1 1899/4885PSEN2 3570/4885APH1B 1506/4885

“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.