SCHEMBL2178636

SCHEMBL2178636

O=CCCCCCCCCCCC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
CYP1A2 P05177 1/20 0.46
ADH1B P00325 1/20 0.43
ADH1C P00326 1/20 0.43
ADH1A P07327 1/20 0.43
ADH4 P08319 1/20 0.43
ADH7 P40394 1/20 0.43
GPR84 Q9NQS5 1/20 0.41
KDM5A P29375 3/20 0.40
PHF8 Q9UPP1 3/20 0.40
KDM2A Q9Y2K7 3/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM4A O75164 1/20 0.40
TSHR P16473 1/20 0.39
EPHX1 P07099 1/20 0.39
HIF1A Q16665 1/20 0.38
NAAA Q02083 2/20 0.37

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
SCHEMBL10684366 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL14607493 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL7348016 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL98104 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL8814716 1.00 SIGMAR1 (0.54) SIGMAR1CYP1A2ADH1BADH1CADH1A
Water SCHEMBL28376340 0.98 SIGMAR1 (0.52) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL97095 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL11102125 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL7350454 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A
SCHEMBL11151075 0.98 SIGMAR1 (0.50) SIGMAR1CYP1A2ADH1BADH1CADH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310411-A1 METHODS OF TREATMENT FOR A KIDNEY DISEASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2023-10-05 US disclosed
US-20130203790-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS 221076 ONTARIO INC. (CA) 2013-08-08 US disclosed
WO-2013006971-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS 221076 ONTARIO INC. (CA) 2013-01-17 WO disclosed
US-20110166114-A1 METHOD FOR TREATING SNORING AND SLEEP APNEA WITH LEUKOTRIENE ANTAGONISTS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION 2011-07-07 US disclosed
US-20090317476-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS, LLC 2009-12-24 US disclosed
US-20060194840-A1 Method for treating snoring and sleep apnea with leukotriene antagonists UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION 2006-08-31 US disclosed
EP-1653910-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE Epigenesis Pharmaceuticals LLC (US) 2006-05-10 EP disclosed
US-20050101544-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a leukotriene receptor antagonist for treatment of asthma or chronic obstructive pulmonary disease EPIGENESIS PHARMACEUTICALS, LLC 2005-05-12 US disclosed
WO-2005027853-A2 METHOD FOR TREATING SNORING AND SLEEP APNEA WITH LEUKOTRIENE ANTAGONISTS UNIVERSITY OF LOUISVILLE RESEARCH FOUNDATION INC (US) 2005-03-31 WO disclosed
WO-2005011595-A2 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE EPIGENESIS PHARMACEUTICALS LLC (US) 2005-02-10 WO disclosed
US-5270324-A Fluorinated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-12-14 US disclosed
US-5266568-A Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA, INC. (CA) 1993-11-30 US disclosed
WO-1993021168-A1 THIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
WO-1993021169-A1 BENZOTHIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
WO-1993021158-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
US-5202321-A Antihistamine, antiallergens, antiinflammatory agents MERCK FROSST CANADA, INC. (CA) 1993-04-13 US disclosed
EP-0518426-A1 Thiopyrano (2,3,4-c,d) indoles as inhibitors of leukotriene biosynthesis MERCK FROSST CANADA INC. (CA) 1992-12-16 EP disclosed
EP-0480717-A1 Unsaturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
EP-0480716-A1 Saturated hydroxyalkylquinoline acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 EP disclosed
EP-0480708-A2 Hydroxyalkylquinoline ether acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1992-04-15 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-20050101544-A1 Combination of dehydroepiandrosterone or dehydroepiandrosterone-sulfate with a leukotriene receptor antagonist for treatment of asthma or chronic obstructive pulmonary disease LTB4R, LTB4R2, CYSLTR1 SIGMAR1 932/4885CYP1A2 645/4885ADH1B 736/4885
US-20060194840-A1 Method for treating snoring and sleep apnea with leukotriene antagonists LTB4R2, LTB4R, CYSLTR2 SIGMAR1 685/4885CYP1A2 989/4885ADH1B 464/4885
US-20130203790-A1 SULFUR-CONTAINING COMPOUNDS AS ANTI-PROLIFERATIVE AGENTS MKI67, TST, PCNA SIGMAR1 925/4885CYP1A2 4815/4885ADH1B 1554/4885
US-20110166114-A1 METHOD FOR TREATING SNORING AND SLEEP APNEA WITH LEUKOTRIENE ANTAGONISTS LTB4R2, LTB4R, CYSLTR2 SIGMAR1 685/4885CYP1A2 989/4885ADH1B 464/4885
US-20230310411-A1 METHODS OF TREATMENT FOR A KIDNEY DISEASE LTB4R2, LTB4R, ALOX5 SIGMAR1 1997/4885CYP1A2 2489/4885ADH1B 266/4885
US-20090317476-A1 COMBINATION OF DEHYDROEPIANDROSTERONE OR DEHYDROEPIANDROSTERONE-SULFATE WITH A LEUKOTRIENE RECEPTOR ANTAGONIST FOR TREATMENT OF ASTHMA OR CHRONIC OBSTRUCTIVE PULMONARY DISEASE LTB4R, LTB4R2, CYSLTR1 SIGMAR1 932/4885CYP1A2 645/4885ADH1B 736/4885

“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.