SCHEMBL2249146

SCHEMBL2249146

CCCC(=O)OCCCOC

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.52
NAAA Q02083 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTR2C P28335 1/20 0.46
DNM1 Q05193 1/20 0.43
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
ADRA2A P08913 1/20 0.40
ADRA1A P35348 1/20 0.40
RAD52 P43351 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.39
P2RY10 O00398 4/20 0.39
GPR34 Q9UPC5 2/20 0.39
FAAH O00519 1/20 0.39
MAPT P10636 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL17453527 0.96 NAAA (0.52) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL19292022 0.94 NAAA (0.55) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL5930623 0.91 DGKA (0.60) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL28956647 0.89 DGKA (0.61) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL27869299 0.89 ADRA2A (0.50) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL10918414 0.86 DGKA (0.56) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL181353 0.86 DGKA (0.56) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL421653 0.86 NAAA (0.60) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL3658001 0.86 DGKA (0.74) DGKANAAAALDH1A1HTR2CDNM1
SCHEMBL3659888 0.86 DGKA (0.74) DGKANAAAALDH1A1HTR2CDNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510877-A Cleaning composition for pretreatment of metal substrates, method for the production thereof and use thereof 巴斯夫涂料有限公司 2024-08-16 CN disclosed
WO-2023131530-A1 A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2023-07-13 WO disclosed
US-20160024327-A1 DISPERSED COMPOSITION, COATING COMPOSITION, COATING FILM, AND COLORED ITEM TOYO INK HOLDINGS CO., LTD. (JP) 2016-01-28 US disclosed
US-8741809-B2 Liquid pyraclostrobin-containing crop protection formulations BASF SE (DE) 2014-06-03 US disclosed
US-8716182-B2 Liquid aqueous crop protection formulations BASF SE (DE) 2014-05-06 US disclosed
CN-102176820-A Liquid crop protection formulations containing pyraclostrobin BASF SE 2011-09-07 CN disclosed
CN-102176821-A Liquid aqueous crop protection formulations BASF SE 2011-09-07 CN disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations BASF SE (DE) 2011-08-11 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-20110195839-A1 Liquid Aqueous Crop Protection Formulations AQP1, GANC, BROX DGKA 1144/4885NAAA 1486/4885ALDH1A1 2866/4885

“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.