SCHEMBL581225

SCHEMBL581225

CCOC(=O)CCOCCOCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.49
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
LTA4H P09960 6/20 0.46
ALDH1A1 P00352 2/20 0.46
PPID Q08752 1/20 0.46
LMNA P02545 2/20 0.45
CYP4F2 P78329 2/20 0.45
CYP4A11 Q02928 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
NR1H4 Q96RI1 1/20 0.44

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
SCHEMBL10472517 0.97 TDP1 (0.51) TDP1ALOX5SMN1; SMN2LTA4HALDH1A1
SCHEMBL26830309 0.94 LTA4H (0.49) TDP1ALOX5SMN1; SMN2LTA4HALDH1A1
SCHEMBL3630884 0.88 LTA4H (0.49) TDP1ALOX5LTA4HALDH1A1CYP4F2
SCHEMBL2722347 0.88 ALOX5 (0.53) TDP1ALOX5SMN1; SMN2LTA4HALDH1A1
SCHEMBL23051792 0.88 ALDH1A1 (0.53) TDP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL19434617 0.88 ALDH1A1 (0.46) TDP1SMN1; SMN2LTA4HALDH1A1PPID
SCHEMBL9212182 0.86 ALOX5 (0.52) TDP1ALOX5SMN1; SMN2LTA4HALDH1A1
SCHEMBL16672928 0.86 TDP1 (0.54) TDP1SMN1; SMN2ALDH1A1LMNAPOLB
SCHEMBL21801168 0.86 ALDH1A1 (0.47) TDP1SMN1; SMN2LTA4HALDH1A1PPID
SCHEMBL16673421 0.86 TDP1 (0.59) TDP1ALOX5SMN1; SMN2LTA4HPPID

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME LLC (US) 2023-12-07 US disclosed
EP-4236938-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS Merck Sharp & Dohme LLC (US) 2023-09-06 EP disclosed
CN-116600803-A Macrocyclic urea orexin receptor agonists 默沙东有限责任公司 2023-08-15 CN disclosed
US-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 US disclosed
US-11420934-B2 PPAR agonists THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2022-08-23 US disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
WO-2022094012-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-05-05 WO disclosed
US-11130779-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-09-28 US disclosed
US-11130779-B2 PPAR agonists and methods of use thereof THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-09-28 US disclosed
US-20200216490-A1 PPAR AGONISTS AND METHODS OF USE THEREOF THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2020-07-09 US disclosed
US-8445525-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-21 US disclosed
EP-1771441-B8 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2012-02-15 EP disclosed
EP-1771441-B1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2011-08-17 EP disclosed
US-7947700-B2 Factor Xa or related serine protease inhibitors; such as 3-chloro-N-[1-(5-chloro-1H-benzimidazol-2-yl)-ethyl]-4-(1,4-diazepan-1-yl)benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-05-24 US disclosed
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-31 US disclosed
US-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-06-19 US disclosed
US-7371743-B2 Carboxylic acid amides, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-05-13 US disclosed
EP-1771441-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS Boehringer Ingelheim International GmbH (DE) 2007-04-11 EP disclosed
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-15 US disclosed
WO-2005082895-A1 NOVEL CARBOXAMIDES FOR USE AS XA INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-09-09 WO 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 (7 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-11420934-B2 PPAR agonists PPARG, PPARD, PPARA TDP1 1550/4885ALOX5 1164/4885SMN1; SMN2 597/4885
US-20080146539-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC TDP1 3116/4885ALOX5 392/4885SMN1; SMN2 4292/4885
US-20110077236-A1 NEW CARBOXYLIC ACID AMIDES, THE PREPARATION THEREOF AND THEIR USE AS MEDICAMENTS OAT, ASS1, OTC TDP1 3116/4885ALOX5 392/4885SMN1; SMN2 4292/4885
US-20200216490-A1 PPAR AGONISTS AND METHODS OF USE THEREOF PPARD, PPARG, PPARA TDP1 1522/4885ALOX5 565/4885SMN1; SMN2 306/4885
US-20230391795-A1 MACROCYCLIC UREA OREXIN RECEPTOR AGONISTS HCRTR1, HCRTR2, CRHR1 TDP1 4722/4885ALOX5 2686/4885SMN1; SMN2 2391/4885
US-11130779-B2 PPAR agonists and methods of use thereof PPARD, PPARG, PPARA TDP1 1522/4885ALOX5 565/4885SMN1; SMN2 306/4885
US-20050203078-A1 Inhibitors of factor Xa or related serine proteases; thrombosis; benzamide derivatives with benzimidazole, indole or imidazo(1,2-a)pyridine rings; e.g. 4-(azepan-2-on-1-yl)-N-[(1R)-1-(5-chloro-1H-benzimidazol-2-yl)-2-methoxy-ethyl]-3-methyl-benzamide F12, TFPI, F11 TDP1 519/4885ALOX5 2111/4885SMN1; SMN2 3281/4885

“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.