SCHEMBL128591

SCHEMBL128591

CCOC(=O)[CH]CC(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.45
NPSR1 Q6W5P4 1/20 0.43
ALDH1A1 P00352 4/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL127982 0.83 HCAR2 (0.48) HCAR2NPSR1ALDH1A1TSHRLMNA
SCHEMBL128626 0.82 TSHR (0.59) ALDH1A1TSHRHSD17B10MAPTALOX15
SCHEMBL8565583 0.79 CHRNB2 (0.43) HCAR2NPSR1ALDH1A1LMNAHSD17B10
SCHEMBL127528 0.79 ATM (0.59) HCAR2NPSR1ALDH1A1TSHRMAPT
SCHEMBL1126891 0.78 HCAR2 (0.52) HCAR2NPSR1ALDH1A1TSHRLMNA
SCHEMBL6673309 0.78 HCAR2 (0.52) HCAR2NPSR1ALDH1A1TSHRLMNA
SCHEMBL28541 0.78 HCAR2 (0.52) HCAR2NPSR1ALDH1A1TSHRLMNA
SCHEMBL127141 0.78 HCAR2 (0.42) HCAR2NPSR1ALDH1A1TSHRLMNA
SCHEMBL125807 0.76
SCHEMBL128754 0.75

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3504210-B1 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2021-02-24 EP claimed
US-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents SEIKAGAKU KOGYO KABUSHIKI KAISHA D/B/A SEIKAGAKU CORPORATION (JP) 2008-03-13 US claimed
US-5753671-A Imidazopyridine derivatives as dual histamine (H1) and platelet activating factor (PAF) antagonists BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-19 US claimed
EP-0775139-A1 IMIDAZOPYRIDINE DERIVATIVES AS DUAL HISTAMINE (H1) AND PLATELET ACTIVATING FACTOR (PAF) ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-28 EP claimed
WO-1996005201-A1 IMIDAZOPYRIDINE DERIVATIVES AS DUAL HISTAMINE (H1) AND PLATELET ACTIVATING FACTOR (PAF) ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-02-22 WO claimed
CN-112930499-B Electrophotographic photoreceptor 京瓷办公信息系统株式会社 2023-12-29 CN disclosed
CN-107148423-B Thionucleoside derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2021-07-30 CN disclosed
CN-108700838-B Electrophotographic photoreceptor 京瓷办公信息系统株式会社 2021-07-16 CN disclosed
CN-112930499-A Electrophotographic photoreceptor 京瓷办公信息系统株式会社 2021-06-08 CN disclosed
WO-2020084900-A1 ELECTROPHOTOGRAPHIC PHOTOSENSITIVE BODY 京セラドキュメントソリューションズ株式会社 2020-04-30 WO disclosed
CN-111051995-A Electrophotographic photoreceptor 京瓷办公信息系统株式会社 2020-04-21 CN disclosed
US-10338485-B2 Electrophotographic photosensitive member KYOCERA DOCUMENT SOLUTIONS INC. (JP) 2019-07-02 US disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP disclosed
US-5753671-A Imidazopyridine derivatives as dual histamine (H1) and platelet activating factor (PAF) antagonists BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1998-05-19 US disclosed
EP-0775139-A1 IMIDAZOPYRIDINE DERIVATIVES AS DUAL HISTAMINE (H1) AND PLATELET ACTIVATING FACTOR (PAF) ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1997-05-28 EP disclosed
WO-1996005201-A1 IMIDAZOPYRIDINE DERIVATIVES AS DUAL HISTAMINE (H1) AND PLATELET ACTIVATING FACTOR (PAF) ANTAGONISTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1996-02-22 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 (2 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-20080064873-A1 Oxidizing an amino alcohol (obtained by ring opening the epoxy, aziding, reducing and reacting it with a carboxylic acid); stereoselectivity; protease inhibitors: antiallergens; anticarcinogenic and hypotensive agents REN, CMA1, AKR1A1 HCAR2 691/4885NPSR1 778/4885ALDH1A1 160/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 HCAR2 99/4885NPSR1 859/4885ALDH1A1 580/4885

“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.