SCHEMBL2231111

SCHEMBL2231111

CCCCOP(=O)(OCCC)OCC(C)C

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.65
TSHR P16473 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.47
LPAR3 Q9UBY5 3/20 0.38
LPAR1 Q92633 2/20 0.38
LPAR2 Q9HBW0 2/20 0.38
TRPM8 Q7Z2W7 1/20 0.38

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
SCHEMBL3821063 0.96 CYP3A4 (0.71) CYP3A4TSHRL3MBTL1LPAR3LPAR1
SCHEMBL6868292 0.96 CYP3A4 (0.71) CYP3A4TSHRL3MBTL1LPAR3LPAR1
SCHEMBL3816600 0.92 CYP3A4 (0.50) CYP3A4TSHRL3MBTL1TRPM8
SCHEMBL4630569 0.90 CYP3A4 (0.61) CYP3A4TSHRL3MBTL1LPAR3LPAR1
SCHEMBL6895750 0.89 CYP3A4 (0.59) CYP3A4TSHRL3MBTL1LPAR3LPAR1
SCHEMBL1724998 0.85 CYP3A4 (0.90) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL29001746 0.85 CYP3A4 (0.90) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL575928 0.85 CYP3A4 (0.90) CYP3A4TSHRLPAR3LPAR1LPAR2
SCHEMBL17467186 0.85 CYP3A4 (0.55) CYP3A4TSHRL3MBTL1LPAR3LPAR1
SCHEMBL6896841 0.84 CYP3A4 (0.53) CYP3A4TSHRL3MBTL1LPAR3LPAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20150376143-A1 Prodrugs of NH-Acidic Compounds ALKERMES PHARMA IRELAND LTD (IE) 2015-12-31 US disclosed
US-8741809-B2 Liquid pyraclostrobin-containing crop protection formulations BASF SE (DE) 2014-06-03 US disclosed
US-20110195846-A1 Liquid Pyraclostrobin-Containing Crop Protection Formulations BASF SE (DE) 2011-08-11 US 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

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-20150376143-A1 Prodrugs of NH-Acidic Compounds SI, NAAA, NIT2 CYP3A4 733/4885TSHR 3738/4885L3MBTL1 4382/4885

“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.