SCHEMBL2879779

SCHEMBL2879779

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.59
ALDH1A1 P00352 4/20 0.51
TSHR P16473 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2C19 P33261 1/20 0.49
SRC P12931 1/20 0.47
PKM P14618 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MMP8 P22894 1/20 0.46
NPSR1 Q6W5P4 2/20 0.44
CASP1 P29466 3/20 0.42
LIG1 P18858 1/20 0.41
RHOA P61586 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2879781 0.93 CYP3A4 (0.56) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL10646849 0.90 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL9230354 0.85 CYP3A4 (0.55) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL7878160 0.84 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL6681237 0.84 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL6681242 0.84 CYP3A4 (0.53) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL10676559 0.82 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL10590388 0.82 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL5994364 0.82 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19
SCHEMBL5325702 0.82 CYP3A4 (0.51) CYP3A4ALDH1A1TSHRHSD17B10CYP2C19

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 16 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-20230159678-A1 METHODS OF POLYMERIZATION WITH AROMATIC THIOL INITIATORS NATIONAL SCIENCE FOUNDATION 2023-05-25 US disclosed
US-20230159678-A1 METHODS OF POLYMERIZATION WITH AROMATIC THIOL INITIATORS NATIONAL SCIENCE FOUNDATION 2023-05-25 US disclosed
US-20220315706-A1 PHOTOPOLYMERIZABLE THERMOPLASTICS AND METHODS OF MAKING AND USING SAME UNIV COLORADO REGENTS (US) 2022-10-06 US disclosed
WO-2022133280-A1 COMPOSITION FOR REVERSIBLE POLYMERIZATION OF THIOESTER AND METHODS THEREOF THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2022-06-23 WO disclosed
WO-2021257692-A1 METHODS OF POLYMERIZATION WITH AROMATIC THIOL INITIATORS THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2021-12-23 WO disclosed
WO-2020247928-A1 PHOTOPOLYMERIZABLE THERMOPLASTICS AND METHODS OF MAKING AND USING SAME THE REGENTS OF THE UNIVERSITY OF COLORADO, A BODY CORPORATE (US) 2020-12-10 WO disclosed
US-10424812-B2 Non-aqueous electrolytic solution and non-aqueous electrolyte secondary battery using the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-09-24 US disclosed
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed
US-20170200976-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND NON-AQUEOUS ELECTROLYTE SECONDARY BATTERY USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2017-07-13 US disclosed
CN-105026444-A Curable composition, transparent heat-resistant material, and use thereof SHOWA DENKO KK 2015-11-04 CN disclosed
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-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-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 (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-20070088026-A1 5-phenylpyrimidines, their preparation, intermediates for their preparation, and their use for controlling harmful fungi DPYD, CBR3, RNGTT CYP3A4 169/4885ALDH1A1 775/4885TSHR 3080/4885

“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.