SCHEMBL6045004

SCHEMBL6045004

C[C@]12CCCCC1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)O)CC[C@@H]12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
AKR1B10 O60218 2/20 0.58
AKR1B1 P15121 2/20 0.58
LMNA P02545 2/20 0.58
EFNA1 P20827 1/20 0.58
EPHA2 P29317 1/20 0.58
PSEN1 P49768 1/20 0.58
PSEN2 P49810 1/20 0.58
GPBAR1 Q8TDU6 1/20 0.58
APH1B Q8WW43 1/20 0.58
NCSTN Q92542 1/20 0.58
APH1A Q96BI3 1/20 0.58
PSENEN Q9NZ42 1/20 0.58
HSD17B10 Q99714 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
GABRP O00591 4/20 0.54
GABRD O14764 4/20 0.54
GABRA1 P14867 4/20 0.54
GABRB1 P18505 4/20 0.54

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
SCHEMBL497658 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL497657 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL13988189 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11060164 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11345742 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL6044996 1.00 MEN1 (0.58) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL11696291 0.90 MEN1 (0.57) MEN1KMT2AAKR1B10AKR1B1LMNA
Acetic Acid SCHEMBL29519885 0.89 GABRP (0.66) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL23872369 0.89 GABRA1 (0.69) MEN1KMT2AAKR1B10AKR1B1LMNA
SCHEMBL598324 0.89 GABRA1 (0.69) MEN1KMT2AAKR1B10AKR1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4885280-A CARDIOTONIC AGENTS NORWICH EATON PHARMACEUTICALS, INC. (US) 1989-12-05 US claimed
JP-1156995-A None JP disclosed
US-20060025393-A1 Steroid derivatives NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-02-02 US disclosed
US-20040152681-A1 Steroid derivatives ARCH DEVELOPMENT CORPORATION, AN ILLINOIS CORPORATION 2004-08-05 US disclosed
US-6645955-B1 Nuclear liver X receptor (LXR) and ubiquitous receptor (UR) disorders; cancer, rheumatic arthritis, diabetes, Alzheimer*s disease ARCH DEVELOPMENT CORPORATION 2003-11-11 US disclosed
EP-1189922-A4 STEROID DERIVATIVES ARCH DEV CORP (US) 2002-08-14 EP disclosed
EP-1189922-A1 STEROID DERIVATIVES Arch Development Corporation (US) 2002-03-27 EP disclosed
WO-2000066611-A1 STEROID DERIVATIVES ARCH DEVELOPMENT CORPORATION (US) 2000-11-09 WO disclosed
EP-0721459-B1 NOVEL OLIGOSACCHARIDE-CONTAINING 14-AMINOSTEROID COMPOUNDS AND NOVEL DIASTEREOSELECTIVE AMINOSTEROID PROCESS CHEMISTRY PROCTER & GAMBLE (US) 2000-05-31 EP disclosed
US-5710259-A TREATING CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY (US) 1998-01-20 US disclosed
EP-0720616-A1 NOVEL DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-07-10 EP disclosed
WO-1995008558-A1 NOVEL DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1995-03-30 WO disclosed
US-4885280-A CARDIOTONIC AGENTS NORWICH EATON PHARMACEUTICALS, INC. (US) 1989-12-05 US disclosed
EP-0155096-B1 17 BETA-SUBSTITUTED-4-AZA-5-ALPHA-ANDROSTENONES AND THEIR USE AS 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1989-10-04 EP disclosed
JP-H01156995-A NEW ANDROSTANE 17-CARBOXYLIC ACID ESTER, ITS PREPARATION AND PHARMACEUTIC CONTAINING THAT NORWICH EATON PHARMACEUT INC 1989-06-20 JP disclosed
EP-0285383-A2 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 EP disclosed
EP-0285382-A2 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 EP disclosed
US-4460509-A STEROIDS WITH HETERO RING SIDE CHAIN BETH ISRAEL MEDICAL CENTER (US) 1984-07-17 US disclosed
US-4335121-A TOPICAL ANTIINFLAMMATORY AGENTS GLAXO GROUP LIMITED (GB) 1982-06-15 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-20060025393-A1 Steroid derivatives NR5A1, NR3C2, NR3C1 MEN1 451/4885KMT2A 2718/4885AKR1B10 467/4885
US-20040152681-A1 Steroid derivatives NR1H3, NR1H2, NR1H4 MEN1 4600/4885KMT2A 3338/4885AKR1B10 426/4885

“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.