SCHEMBL2230722

SCHEMBL2230722

CCCC(CC(=O)OCC)C(O)CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
ALDH1A1 P00352 6/20 0.38
TRPA1 O75762 1/20 0.38
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 2/20 0.36
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 1/20 0.35
CHRM1 P11229 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CYP1A2 P05177 1/20 0.33
RECQL P46063 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL21052390 0.86 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3392227 0.79 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3392348 0.79 MGAM (0.41) MGAMGAASIMGAM2ALDH1A1
SCHEMBL14492490 0.78 GAA (0.52) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3392732 0.76 GAA (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL3395546 0.76 GAA (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28139614 0.76 MGAM (0.39) MGAMGAASIMGAM2ALDH1A1
SCHEMBL4471569 0.76 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5483236 0.76 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL5477958 0.76 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1

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-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-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
US-20110195839-A1 Liquid Aqueous Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US disclosed
EP-2348833-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-08-03 EP disclosed
EP-2346322-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2011-07-27 EP disclosed
WO-2010040835-A2 LIQUID PYRACLOSTROBIN-CONTAINING CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 WO disclosed
WO-2010040834-A2 LIQUID AQUEOUS CROP PROTECTION FORMULATIONS BASF SE (DE) 2010-04-15 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 (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 MGAM 554/4885GAA 1230/4885SI 351/4885

“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.