SCHEMBL648482

SCHEMBL648482

c1ccc(-c2ccccc2PC2CCCCC2)c(PC2CCCCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
MC4R P32245 1/20 0.35
PTPN1 P18031 2/20 0.34
PTPRC P08575 1/20 0.34
PTPRF P10586 1/20 0.34
CDC25B P30305 1/20 0.34
CYP2C19 P33261 1/20 0.32
LMNA P02545 2/20 0.31
GAA P10253 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL3954820 0.88 ALDH1A1 (0.41) BCHEACHEALDH1A1HPGDHSD17B10
SCHEMBL1068168 0.85 HTR6 (0.33) ALDH1A1MAPTPKMLMNAMEN1
SCHEMBL5680285 0.85 PTPN1 (0.33) ALDH1A1PTPN1PTPRCPTPRFCDC25B
SCHEMBL18323806 0.85 SMN1; SMN2 (0.43) HPGDHSD17B10PKMPTPN1PTPRC
SCHEMBL29732924 0.85 HTR6 (0.33) ALDH1A1MAPTPKMLMNAMEN1
SCHEMBL30810808 0.79 MAPT (0.35) ALDH1A1HPGDMAPTCYP2C19LMNA
SCHEMBL30271318 0.79 MAPT (0.41) ALDH1A1MAPTPKMLMNAGAA
SCHEMBL29676737 0.79 SMN1; SMN2 (0.40) ALDH1A1HPGDMAPTALOX15LMNA
SCHEMBL30587348 0.79 PTPRC (0.32) PTPN1PTPRCPTPRFCDC25B
SCHEMBL2463060 0.79 SMN1; SMN2 (0.40) ALDH1A1HPGDMAPTALOX15LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531256-B1 Method for preparing glycosides CIBA GEIGY AG (CH) 1997-04-23 EP claimed
US-5342929-A Direct glycosylation leads to the desired glycosides in high yield and relatively short reaction times using metal complex salts; large amounts of the alpha- or beta-form are often obtained CIBA-GEIGY CORPORATION (US) 1994-08-30 US claimed
EP-1713789-B1 2-HALOFURYL/THIENYL-3-CARBOXAMIDES BAYER IP GMBH (DE) 2015-05-27 EP disclosed
EP-1628962-B1 Iodopyrazolyl carboxanilides BAYER IP GMBH (DE) 2014-10-01 EP disclosed
EP-1678142-B1 HEXYL CARBOXANILIDES AND THEIR USE FOR CONTROLLING UNDESIRABLE MICRO-ORGANISMS BAYER CROPSCIENCE AG (DE) 2014-10-01 EP disclosed
EP-1590330-B1 PYRAZOLYL CARBOXANILIDES FOR CONTROLLING UNWANTED MICROORGANISMS BAYER CROPSCIENCE AG (DE) 2013-02-27 EP disclosed
EP-1414803-B1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2012-12-12 EP disclosed
US-8119682-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2012-02-21 US disclosed
US-20110195968-A1 THIAZOLES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2011-08-11 US disclosed
US-20110124698-A1 Iodopyrazolyl Carboxanilides BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-26 US disclosed
US-7906656-B2 Iodopyrazolyl carboxanilides BAYER CROPSCIENCE AG (DE) 2011-03-15 US disclosed
WO-2005042494-A1 ISOPENTYL CARBOXANILIDES FOR COMBATING UNDESIRED MICRO-ORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2005-05-12 WO disclosed
WO-2004103953-A1 DIFLUOROMETHYLBENZANILIDES AND USE THEREOF FOR COMBATING MICRO-ORGANISMS, INTERMEDIATE PRODUCTS AND USE THEREOF BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 WO disclosed
WO-2004103975-A1 IODOPYRAZOLYL CARBOXANILIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-12-02 WO disclosed
US-20040204470-A1 Pyrazoylcarboxanilides as fungicides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
WO-2004072023-A2 OXATHIIN CARBOXAMIDE BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-26 WO disclosed
WO-2004067515-A1 PYRAZOLYL CARBOXANILIDES FOR CONTROLLING UNWANTED MICROORGANISMS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2004-08-12 WO disclosed
EP-1414803-A1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES Bayer CropScience AG (DE) 2004-05-06 EP disclosed
WO-2003010149-A1 PYRAZOLYLCARBOXANILIDES AS FUNGICIDES BAYER CROPSCIENCE AG (DE) 2003-02-06 WO disclosed
US-5342929-A Direct glycosylation leads to the desired glycosides in high yield and relatively short reaction times using metal complex salts; large amounts of the alpha- or beta-form are often obtained CIBA-GEIGY CORPORATION (US) 1994-08-30 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 (3 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-20110124698-A1 Iodopyrazolyl Carboxanilides IDH2, ABL1, IDH1 BCHE 1770/4885ACHE 1352/4885ALDH1A1 804/4885
US-20040204470-A1 Pyrazoylcarboxanilides as fungicides CYP1A1, CYP1B1, CYP2E1 BCHE 647/4885ACHE 1867/4885ALDH1A1 358/4885
US-20110195968-A1 THIAZOLES AS FUNGICIDES CYP4X1, CYP4Z1, CYP3A4 BCHE 1377/4885ACHE 607/4885ALDH1A1 662/4885

“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.