SCHEMBL128688

SCHEMBL128688

CCCCOC(=O)CCCC(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.57
MAPT P10636 2/20 0.49
ATM Q13315 2/20 0.47
DNM1 Q05193 1/20 0.47
CYP3A4 P08684 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HTR2C P28335 1/20 0.46
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
LMNA P02545 3/20 0.44
PAM P19021 2/20 0.43
MAPK1 P28482 1/20 0.42
RECQL P46063 1/20 0.42

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
Ethylene Glycol SCHEMBL11773422 0.95 DGKA (0.52) DGKAMAPTATMDNM1CYP3A4
SCHEMBL28882233 0.94 DGKA (0.60) DGKAMAPTATMDNM1CYP3A4
SCHEMBL25703869 0.93 DGKA (0.63) DGKAMAPTDNM1NAAAALDH1A1
SCHEMBL28489926 0.93 DGKA (0.58) DGKAMAPTATMDNM1CYP3A4
SCHEMBL2392335 0.93 DGKA (0.63) DGKAMAPTATMDNM1CYP3A4
SCHEMBL2399726 0.93 DGKA (0.63) DGKAMAPTATMDNM1CYP3A4
SCHEMBL29360551 0.93 DGKA (0.63) DGKAMAPTATMDNM1CYP3A4
SCHEMBL5491369 0.93 DGKA (0.63) DGKAMAPTDNM1NAAAALDH1A1
SCHEMBL20377189 0.92 DGKA (0.57) DGKAMAPTATMDNM1CYP3A4
SCHEMBL11221629 0.92 DGKA (0.53) DGKAMAPTATMDNM1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113278608-B Chloroform substitute reagent for nucleic acid extraction and separation 杭州新景生物试剂开发有限公司 2022-05-31 CN disclosed
CN-113278608-A Chloroform substitute reagent for nucleic acid extraction and separation 杭州新景生物试剂开发有限公司 2021-08-20 CN disclosed
CN-111868627-A Photosensitive resin composition, cured film, color conversion substrate, image display device, and method for producing cured film 东丽株式会社 2020-10-30 CN disclosed
CN-108250369-A A kind of preparation method of low smell high-weatherability polymer polyatomic alcohol 万华化学集团股份有限公司 2018-07-06 CN disclosed
US-9801851-B2 Methods and compositions for the treatment of BCR-ABL positive lymphoblastic leukemias ST. JUDE CHILDREN'S RESEARCH HOSPITAL (US) 2017-10-31 US disclosed
US-20150133462-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2015-05-14 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

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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 DGKA 3277/4885MAPT 4877/4885ATM 3121/4885
US-20150133462-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF BCR-ABL POSITIVE LYMPHOBLASTIC LEUKEMIAS ABL1, BCR, ABL2 DGKA 493/4885MAPT 2776/4885ATM 753/4885

“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.