SCHEMBL3988004

SCHEMBL3988004

CC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]32)C1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 10/20 0.66
AKR1B10 O60218 2/20 0.66
AKR1B1 P15121 2/20 0.66
OR51E2 Q9H255 1/20 0.66
GPBAR1 Q8TDU6 4/20 0.56
LMNA P02545 3/20 0.56
CYP3A4 P08684 3/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
SHBG P04278 2/20 0.56
SERPINA6 P08185 2/20 0.56
HSD17B3 P37058 2/20 0.56
MAPK1 P28482 1/20 0.56
PMP22 Q01453 1/20 0.56
G6PD P11413 1/20 0.56
CYP2D6 P10635 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
CYP2C19 P33261 1/20 0.56

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
SCHEMBL11042029 1.00 CYP19A1 (0.66) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8533582 0.86 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL6254375 0.86 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL11518397 0.86 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL4585718 0.86 CYP19A1 (0.64) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL10603778 0.81 CYP19A1 (0.43) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL8677783 0.81 CYP19A1 (0.58) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL868473 0.80 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL22844489 0.80 CYP19A1 (1.00) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1
SCHEMBL20787638 0.80 CYP19A1 (0.80) CYP19A1AKR1B10AKR1B1OR51E2GPBAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513509-A4 NEBULIZER FORMULATIONS OF DEHYDROEPIANDROSTERONE AND METHODS OF TREATING ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE USING COMPOSTIONS THEREOF EPIGENESIS PHARMACEUTICALS LLC (US) 2009-05-27 EP disclosed
WO-2007055890-A2 CO-ADMINISTRATION OF DEHYDROEPIANDROSTERONE (DHEA) CONGENERS AND OTHER ACTIVE AGENTS FOR TREATING CANCER INFLABLOC PHARMACEUTICALS, INC. (US) 2007-05-18 WO disclosed
EP-1033989-A4 METHOD FOR REDUCING MAST CELL MEDIATED ALLERGIC REACTIONS DOWELL TAD (US) 2007-05-02 EP disclosed
US-20060217355-A1 Co-administration of dehydroepiandrosterone (DHEA) congeners and other active agents for treating cancer INFLABLOC PHARMACEUTICALS, INC. 2006-09-28 US disclosed
US-20060154908-A1 Co-administration of dehydroepiandrosterone (DHEA) congeners and other active agents for treating depression INFLABLOC PHARMACEUTICALS, INC. 2006-07-13 US disclosed
US-20060122160-A1 Co-administration of dehydroepiandrosterone (DHEA) congener with parthenolide for treating inflammation INFLABLOC PHARMACEUTICALS, INC. 2006-06-08 US disclosed
US-20060004076-A1 Co-administration of dehydroepiandrosterone (DHEA) congener with pharmaceutically active agents for treating inflammation INFLABLOC PHARMACEUTICALS, INC. 2006-01-05 US disclosed
EP-1589975-A2 DEHYDROEPIANDROSTERONE (DHEA) CONGENERS FOR PREVENTION AND/OR TREATMENT OF ULCERS Inflabloc Pharmaceuticals, Inc. (US) 2005-11-02 EP disclosed
EP-1513509-A2 NEBULIZER FORMULATIONS OF DEHYDROEPIANDROSTERONE AND METHODS OF TREATING ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE USING COMPOSTIONS THEREOF Epigenesis Pharmaceuticals, Inc. (US) 2005-03-16 EP disclosed
WO-2004058048-A2 DEHYDROEPIANDROSTERONE (DHEA) CONGENERS FOR PREVENTION AND/OR TREATMENT OF ULCERS INFLABLOC PHARMACEUTICALS, INC. (US) 2004-07-15 WO disclosed
US-6187767-B1 Methods for preventing progressive tissue necrosis, reperfusion injury, bacterial translocation and adult respiratory distress syndrome UNIVERSITY OF UTAH RESEARCH FOUNDATION 2001-02-13 US disclosed
US-6150348-A ADMINISTERING A DEHYDROEPIANDROSTERONE (DHEA) DERIVATIVE TO A PATIENT SUFFERING FROM ADULT RESPIRATORY DISTRESS SYNDROME, PULMONARY HYPERTENSION UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2000-11-21 US disclosed
EP-1033989-A1 METHOD FOR REDUCING MAST CELL MEDIATED ALLERGIC REACTIONS University of Utah Research Foundation (US) 2000-09-13 EP disclosed
US-5977095-A Methods for preventing progressive tissue necrosis, reperfusion injury, bacterial translocation and respiratory distress syndrome UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1999-11-02 US disclosed
US-5922701-A Method for enhancing or accelerating re-epithelialization or re-endothelialization of a tissue UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1999-07-13 US disclosed
WO-1999024039-A1 METHOD FOR REDUCING MAST CELL MEDIATED ALLERGIC REACTIONS PHARMADIGM, INC. (US) 1999-05-20 WO disclosed
US-5859000-A ADMINISTERING DEHYDROEPIANDROSTERONE DERIVATIVE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1999-01-12 US disclosed
EP-0067480-B1 NOVEL MONO - AND BISQUATERNARY AMMONIUM DERIVATIVES OF 2-BETA, 16-BETA-DIAMINO-5-ALPHA-ANDROSTANE DERIVATIVES AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME AKZO N.V. (NL) 1984-11-28 EP disclosed
US-4447425-A NEUROMUSCULAR BLOCKING AGENTS, MUSCLE RELAXANTS AKZO N.V. (NL) 1984-05-08 US disclosed
EP-0067480-A1 Novel mono - and bisquaternary ammonium derivatives of 2-beta, 16-beta-diamino-5-alpha-androstane derivatives and pharmaceutical preparations containing same AKZO N.V. (NL) 1982-12-22 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 (4 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-20060004076-A1 Co-administration of dehydroepiandrosterone (DHEA) congener with pharmaceutically active agents for treating inflammation CYP17A1, CYP21A2, SHBG CYP19A1 9/4885AKR1B10 52/4885AKR1B1 44/4885
US-20060122160-A1 Co-administration of dehydroepiandrosterone (DHEA) congener with parthenolide for treating inflammation CYP17A1, CYP21A2, HSD17B7 CYP19A1 14/4885AKR1B10 107/4885AKR1B1 67/4885
US-20060217355-A1 Co-administration of dehydroepiandrosterone (DHEA) congeners and other active agents for treating cancer SHBG, CYP21A2, HSD17B11 CYP19A1 4/4885AKR1B10 86/4885AKR1B1 65/4885
US-20060154908-A1 Co-administration of dehydroepiandrosterone (DHEA) congeners and other active agents for treating depression SHBG, HSD17B11, HSD17B2 CYP19A1 15/4885AKR1B10 209/4885AKR1B1 190/4885

“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.