SCHEMBL502482

SCHEMBL502482

CC1C[C@H]2[C@@H]3CCC4CCCC[C@]4(C)[C@@H]3CC[C@]2(C)C1=O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.63
G6PD P11413 2/20 0.50
HSD17B3 P37058 2/20 0.44
GPBAR1 Q8TDU6 5/20 0.43
LMNA P02545 4/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
CYP3A4 P08684 3/20 0.43
AKR1B10 O60218 3/20 0.43
AKR1B1 P15121 3/20 0.43
SHBG P04278 2/20 0.43
SERPINA6 P08185 2/20 0.43
MAPK1 P28482 2/20 0.43
PMP22 Q01453 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
CYP2C19 P33261 1/20 0.43
EFNA1 P20827 1/20 0.43
EPHA2 P29317 1/20 0.43

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
SCHEMBL502634 1.00 CYP19A1 (0.63) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL15094423 1.00 CYP19A1 (0.63) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL502481 1.00 CYP19A1 (0.63) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL503217 0.85 CYP19A1 (0.61) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL502992 0.85 CYP19A1 (0.61) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL8528354 0.85 G6PD (0.69) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL5312818 0.85 CYP19A1 (0.61) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL502993 0.85 CYP19A1 (0.61) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL9764804 0.85 G6PD (0.69) CYP19A1G6PDHSD17B3GPBAR1LMNA
SCHEMBL8640096 0.85 G6PD (0.69) CYP19A1G6PDHSD17B3GPBAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013103780-A1 COMPOSITIONS AND METHODS TO BOOST ENDOGENOUS ROS PRODUCTION FROM BACTERIA TRUSTEES OF BOSTON UNIVERSITY (US) 2013-07-11 WO claimed
US-20150071904-A1 COMPOSITIONS AND METHODS TO BOOST ENDOGENOUS ROS PRODUCTION FROM BACTERIA TRUSTEES OF BOSTON UNIVERSITY 2015-03-12 US disclosed
US-20140220152-A1 Compositions and Methods for Detecting, Treating, or Preventing Reductive Stress UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2014-08-07 US disclosed
WO-2013103780-A1 COMPOSITIONS AND METHODS TO BOOST ENDOGENOUS ROS PRODUCTION FROM BACTERIA TRUSTEES OF BOSTON UNIVERSITY (US) 2013-07-11 WO disclosed
US-20120030779-A1 COMPOSITIONS AND METHODS FOR DETECTING, TREATING, OR PREVENTING REDUCTIVE STRESS UNIVERSITY OF UTAH RESEARCH FOUNDTION (UT) 2012-02-02 US disclosed
US-7405207-B2 Nebulizer formulations of dehydroepiandrosterone and methods of treating asthma or chronic obstructive pulmonary disease using compositions thereof EPIGENESIS PHARMACEUTICALS, INC. (US) 2008-07-29 US 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
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
WO-1999052532-A1 METHOD FOR REDUCING CENTRAL NERVOUS SYSTEM IMPAIRMENT PHARMADIGM, INC. (US) 1999-10-21 WO 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
US-5859000-A ADMINISTERING DEHYDROEPIANDROSTERONE DERIVATIVE UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 1999-01-12 US disclosed
US-5744462-A ADMINISTERING GLUCOSE-6-PHOSPHATE DEHYDROGENASE INHIBITOR RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1998-04-28 US disclosed
US-5700793-A AN ANDROSTANE-17-ONE AND ENE STEROIDS; HYPOGLYCEMIC AGENT, ANTICHOLESTEROL AGENT; TREATING AUTOIMMUNE DISEASES RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-12-23 US disclosed
US-5696106-A Steroids useful as anti-cancer and anti-obesity agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-12-09 US disclosed
US-5656621-A ADMINISTERING ANTIDIABETIC, ANTIAGING, ANTIHYPERCHOLESTROLEMIC, ANTIHYPERGLYCEMIC AGENT RESEARCH CORPORATION TECH., INC. (US) 1997-08-12 US disclosed
US-5157031-A Androsterone derivatives RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-10-20 US disclosed
EP-0246650-B1 STEROIDS USEFUL AS ANTI-CANCER AND ANTI-OBESITY AGENTS, A THERAPEUTIC COMPOSITION CONTAINING THEM AND USE THEREOF FOR THE PREPARATION OF A THERAPEUTIC COMPOSITION RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1992-01-02 EP disclosed
EP-0246650-A1 Steroids useful as anti-cancer and anti-obesity agents, a therapeutic composition containing them and use thereof for the preparation of a therapeutic composition RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1987-11-25 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 (6 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-20060122160-A1 Co-administration of dehydroepiandrosterone (DHEA) congener with parthenolide for treating inflammation CYP17A1, CYP21A2, HSD17B7 CYP19A1 14/4885G6PD 233/4885HSD17B3 9/4885
US-20060217355-A1 Co-administration of dehydroepiandrosterone (DHEA) congeners and other active agents for treating cancer SHBG, CYP21A2, HSD17B11 CYP19A1 4/4885G6PD 129/4885HSD17B3 15/4885
US-20120030779-A1 COMPOSITIONS AND METHODS FOR DETECTING, TREATING, OR PREVENTING REDUCTIVE STRESS TNNC1, TNNI3, HSPA5 CYP19A1 4684/4885G6PD 1672/4885HSD17B3 2476/4885
US-20060154908-A1 Co-administration of dehydroepiandrosterone (DHEA) congeners and other active agents for treating depression SHBG, HSD17B11, HSD17B2 CYP19A1 15/4885G6PD 211/4885HSD17B3 7/4885
US-20140220152-A1 Compositions and Methods for Detecting, Treating, or Preventing Reductive Stress TNNC1, TNNI3, TXN2 CYP19A1 4514/4885G6PD 504/4885HSD17B3 2296/4885
US-20150071904-A1 COMPOSITIONS AND METHODS TO BOOST ENDOGENOUS ROS PRODUCTION FROM BACTERIA ROS1, NOX4, CYBB CYP19A1 2089/4885G6PD 255/4885HSD17B3 1502/4885

“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.