SCHEMBL128078

SCHEMBL128078

[CH2]CCCCC(=O)OCCC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.61
DNM1 Q05193 1/20 0.50
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 1/20 0.47
TSHR P16473 2/20 0.47
PAM P19021 2/20 0.46
ALDH1A1 P00352 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MAPT P10636 2/20 0.43
EPHX2 P34913 1/20 0.42
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
ATM Q13315 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.41
NAAA Q02083 1/20 0.41
CYP1A2 P05177 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL7828502 0.98 DGKA (0.64) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL96766 0.98 DGKA (0.64) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL7838074 0.98 DGKA (0.64) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL5079776 0.98 DGKA (0.64) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL128495 0.94 DGKA (0.57) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL129849 0.90 DGKA (0.64) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL33810 0.89 DGKA (0.74) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL2485452 0.88 DGKA (0.68) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL7839840 0.88 DGKA (0.68) DGKADNM1PRSS1PRSS2PRSS3
SCHEMBL8453125 0.88 DGKA (0.68) DGKADNM1PRSS1PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108250754-B Silicon-containing resin composition, silicon-containing resin film, silica film, light-emitting display element panel, and light-emitting display device 东京应化工业株式会社 2022-01-25 CN disclosed
CN-111072635-B Isoniazid-indoheptamethine cyanine coupling compound and preparation method and application thereof 沈阳药科大学 2021-06-11 CN disclosed
CN-111072635-A Isoniazid-indoheptamethine cyanine coupling compound and preparation method and application thereof 沈阳药科大学 2020-04-28 CN disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-2570418-A2 2,3-dihydro-6-nitroimidazo[2,1-b]oxazoles compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-03-20 EP disclosed
EP-1555267-B1 2,3-DIHYDRO-6-NITROIMIDAZO[2,1-b]OXAZOLES OTSUKA PHARMA CO LTD (JP) 2013-01-16 EP disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
EP-0751133-B1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI CHEMICALS INC (JP) 2001-09-12 EP disclosed
EP-0858452-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-08-19 EP disclosed
US-5770108-A HIGH SPEED RESPONSE, MOLECULAR ORIENTATION, HIGH CONTRAST, RECEPTIVITY MITSUI TOATSU CHEMICALS, INC. (JP) 1998-06-23 US disclosed
WO-1998004536-A1 THIAZOLE DERIVATIVE AS PROTEIN KINASE C INHIBITORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-02-05 WO disclosed
EP-0751133-A1 Pyrimidine compound, and liquid crystal composition and liquid crystal element using the same MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1997-01-02 EP disclosed
EP-0550817-A2 Thermal transfer sheet DAI NIPPON PRINTING CO., LTD. (JP) 1993-07-14 EP disclosed
US-4285856-A IMIDOTHIOESTERS CIBA-GEIGY CORPORATION (US) 1981-08-25 US disclosed
US-4188403-A Cyclopentan-1-amines MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-02-12 US 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 (1 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 DGKA 3277/4885DNM1 3297/4885PRSS1 1706/4885

“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.