SCHEMBL3370108

SCHEMBL3370108

C=C1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 7/20 0.77
SHBG P04278 6/20 0.77
HSD17B10 Q99714 6/20 0.77
SMN1; SMN2 Q16637 6/20 0.77
LMNA P02545 5/20 0.77
ALDH1A1 P00352 5/20 0.77
SERPINA6 P08185 4/20 0.77
SNCA P37840 4/20 0.77
MAPK1 P28482 4/20 0.77
TSHR P16473 4/20 0.77
BLM P54132 3/20 0.77
PMP22 Q01453 3/20 0.77
NPSR1 Q6W5P4 3/20 0.77
HSD17B3 P37058 2/20 0.77
NR3C1 P04150 5/20 0.66
PGR P06401 5/20 0.66
ADRA1A P35348 1/20 0.66
HTR2B P41595 1/20 0.66
CYP3A4 P08684 4/20 0.64
AR P10275 4/20 0.64

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
SCHEMBL22476664 1.00 CYP19A1 (0.77) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
SCHEMBL14422722 1.00 CYP19A1 (0.77) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
SCHEMBL5151424 1.00 CYP19A1 (0.77) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
SCHEMBL22704745 1.00 CYP19A1 (0.77) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
Androstenedione SCHEMBL13752932 0.87 CYP19A1 (1.00) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
Androstenedione SCHEMBL13753017 0.87 CYP19A1 (1.00) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
Androstenedione SCHEMBL9310209 0.87 CYP19A1 (1.00) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
Androstenedione SCHEMBL11876371 0.87 CYP19A1 (1.00) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
Androstenedione SCHEMBL21265627 0.87 CYP19A1 (1.00) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA
Androstenedione SCHEMBL15369366 0.87 CYP19A1 (1.00) CYP19A1SHBGHSD17B10SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392320-B1 17-METHYLENE-ANDROSTAN-3a-OL ANALOGS AS CRH INHIBITORS PHERIN PHARM INC (US) 2007-01-10 EP claimed
EP-1549292-A2 PHARMACEUTICAL PREPARATIONS, USE OF SAID PREPARATIONS AND METHOD FOR INCREASING THE BIOAVAILABILITY OF MEDICAMENTS FOR PERORAL ADMINISTRATION Schering Aktiengesellschaft (DE) 2005-07-06 EP claimed
WO-2004032897-A2 PHARMACEUTICAL PREPARATIONS, USE OF SAID PREPARATIONS AND METHOD FOR INCREASING THE BIOAVAILABILITY OF MEDICAMENTS FOR PERORAL ADMINISTRATION SCHERING AKTIENGESELLSCHAFT (DE) 2004-04-22 WO claimed
EP-1392320-A1 17-METHYLENE-ANDROSTAN-3a-OL ANALOGS AS CRH INHIBITORS Pherin Pharmaceuticals, Inc. (US) 2004-03-03 EP claimed
US-20030220309-A1 17-methylenandrostan-3alpha-ol analogs as CRH inhibitors PHERIN PHARMACEUTICALS, INC. 2003-11-27 US claimed
US-20030045514-A1 17-Methyleneandrostan-3alpha-ol analogs as CRH inhibitors JULIAN N. STERN, A PROFESSIONAL CORPORATION 2003-03-06 US claimed
WO-2002089814-A1 17-METHYLENE-ANDROSTAN-3α-OL ANALOGS AS CRH INHIBITORS PHERIN PHARMACEUTICALS, INC. (US) 2002-11-14 WO claimed
US-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE BAYER SCHERING PHARMA AG (DE) 2010-11-18 US disclosed
WO-2010066349-A1 USE OF 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR MANUFACTURING A MEDICAMENT IN A SUSTAINED-RELEASE FORM FOR PARENTERAL USE, AND SUSTAINED-RELEASE MEDICAMENT CONTAINING 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVES FOR PARENTERAL USE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-06-17 WO disclosed
EP-2167525-A2 17ß-CYANO-19-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
WO-2008152112-A2 17ß-CYANO-19-ANDROST-4-ENE DERIVATIVE, USE THEREOF AND MEDICAMENTS CONTAINING SAID DERIVATIVE BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO disclosed
EP-1392320-B1 17-METHYLENE-ANDROSTAN-3a-OL ANALOGS AS CRH INHIBITORS PHERIN PHARM INC (US) 2007-01-10 EP disclosed
EP-0891188-A4 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARM INC (US) 2004-09-01 EP disclosed
WO-1998014194-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF ANXIETY PHERIN PHARMACEUTICALS (US) 1998-04-09 WO disclosed
WO-1998003207-A1 STEROIDS AS NEUROCHEMICAL STIMULATORS OF THE VNO TO ALLEVIATE SYMPTOMS OF PMS AND ANXIETY PHERIN PHARMACEUTICALS, INC. (US) 1998-01-29 WO disclosed
WO-1997036596-A9 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH 1997-12-04 WO disclosed
WO-1997036596-A1 STEROIDS AS NEUROCHEMICAL INITIATORS OF CHANGE IN HUMAN BLOOD LEVELS OF LH OR FSH PHERIN PHARMACEUTICALS, INC. (US) 1997-10-09 WO disclosed
EP-0783512-A1 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1997-07-16 EP disclosed
WO-1996010031-A1 NOVEL ANDROSTANES FOR INDUCING HYPOTHALAMIC EFFECTS PHERIN CORPORATION (US) 1996-04-04 WO disclosed
EP-0122232-A1 20-Spiroxanes and analogues with open ring E, process for their preparation and pharmaceutical compositions CIBA-GEIGY AG (CH) 1984-10-17 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 (3 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-20030220309-A1 17-methylenandrostan-3alpha-ol analogs as CRH inhibitors CRH, CRHR1, CRHR2 CYP19A1 691/4885SHBG 170/4885HSD17B10 216/4885
US-20100292184-A1 17BETA-CYANO-19-ANDROST-4-ENE DERIVATIVE, ITS USE AND MEDICAMENTS COMPRISING THE DERIVATIVE HSD17B11, HSD17B7, NR5A1 CYP19A1 14/4885SHBG 24/4885HSD17B10 54/4885
US-20030045514-A1 17-Methyleneandrostan-3alpha-ol analogs as CRH inhibitors CRH, CRHR1, CRHR2 CYP19A1 256/4885SHBG 88/4885HSD17B10 153/4885

“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.