SCHEMBL2879781

SCHEMBL2879781

C=CCOC(=O)C(C(=O)O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56
SRC P12931 1/20 0.53
CYP2C19 P33261 1/20 0.50
ALDH1A1 P00352 3/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PKM P14618 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MMP8 P22894 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
CASP1 P29466 2/20 0.40
LIG1 P18858 1/20 0.40
CYP2D6 P10635 2/20 0.39
RHOA P61586 1/20 0.39
CYP1A2 P05177 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 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
SCHEMBL2879779 0.93 CYP3A4 (0.59) CYP3A4SRCCYP2C19ALDH1A1TSHR
SCHEMBL10646849 0.87 CYP3A4 (0.53) CYP3A4SRCCYP2C19ALDH1A1TSHR
SCHEMBL9230354 0.82 CYP3A4 (0.55) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL7878160 0.81 CYP3A4 (0.53) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL6681237 0.81 CYP3A4 (0.53) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL6681242 0.81 CYP3A4 (0.53) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL10676559 0.79 CYP3A4 (0.51) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL5325702 0.79 CYP3A4 (0.51) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL5994366 0.79 CYP3A4 (0.51) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10
SCHEMBL14619857 0.79 CYP3A4 (0.51) CYP3A4CYP2C19ALDH1A1TSHRHSD17B10

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
US-7153860-B2 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-12-26 US claimed
US-20040116429-A1 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF SE (DE) 2004-06-17 US claimed
US-7709637-B2 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi BASF SE (DE) 2010-05-04 US disclosed
US-7465735-B2 crop protection agents for controlling harmful fungi; improved activity; 6-chloro-2-(N'-isopropylidene-hydrazino)-5-(2,4,6-trifluorophenyl)pyrimidine-4-yl]-((S)-1-trifluoromethylethyl)amine; against Septoria Leaf Blotch of Wheat, Net Blotch of Barley and Mildew of Cucumber BASF AKTIENGESELLSCHAFT (DE) 2008-12-16 US disclosed
US-7449471-B2 5-phenylpyrimidines, their preparation, compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2008-11-11 US disclosed
US-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE GYPSER ANDREAS 2007-06-28 US disclosed
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi METAVANTE CORPORATION 2007-04-19 US disclosed
US-7153860-B2 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF AKTIENGESELLSCHAFT (DE) 2006-12-26 US disclosed
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use BASF AKTIENGESELLSCHAFT (DE) 2006-07-06 US disclosed
US-20040116429-A1 5-Phenylpyrimidines, methods and intermediate products for the production thereof and use of the same for controlling pathogenic fungi BASF SE (DE) 2004-06-17 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-20070149551-A1 5-PHENYLPYRIMIDINES, THEIR PREPARATION, COMPOSITIONS COMPRISING THEM AND THEIR USE CBR1, CBR3, NTPCR CYP3A4 574/4885SRC 2465/4885CYP2C19 794/4885
US-20060148764-A1 5-phenypyrimidines their preparation compositions comprising them and their use CBR1, CBR3, NT5C CYP3A4 590/4885SRC 2019/4885CYP2C19 873/4885
US-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi DPYD, CBR3, RNGTT CYP3A4 169/4885SRC 3888/4885CYP2C19 167/4885

“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.