SCHEMBL1037140

SCHEMBL1037140

O=C(O)c1cc(=O)c(OCc2ccccc2)co1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.52
LDHA P00338 2/20 0.51
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPC1 O15118 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
RECQL P46063 1/20 0.50
RAB9A P51151 1/20 0.50
FOLH1 Q04609 1/20 0.47
MAOB P27338 1/20 0.46
NR4A2 P43354 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A3 Q92570 1/20 0.44
SRD5A2 P31213 1/20 0.44
DAO P14920 1/20 0.43
EDNRA P25101 1/20 0.43
PTGER1 P34995 1/20 0.43
MCL1 Q07820 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8160885 0.88 CYP2C19 (0.51) LDHAMEN1KMT2ANPC1CYP1A2
SCHEMBL10328650 0.87 RAB9A (0.50) PTGER4LDHAMEN1KMT2ANPC1
SCHEMBL10328594 0.87 MEN1 (0.50) PTGER4LDHAMEN1KMT2ANPC1
SCHEMBL10328542 0.87 MRGPRX4 (0.50) PTGER4NPC1CYP1A2CYP2C19RECQL
SCHEMBL10548799 0.87 HPGD (0.51) LDHAMEN1KMT2ANPC1CYP1A2
SCHEMBL10328621 0.87 NPC1 (0.53) PTGER4LDHAMEN1KMT2ANPC1
SCHEMBL3334602 0.87 NPC1 (0.67) PTGER4LDHAMEN1KMT2ANPC1
SCHEMBL10328598 0.86 LDHA (0.54) LDHAMEN1KMT2ANPC1RAB9A
SCHEMBL10328647 0.86 MEN1 (0.70) LDHAMEN1KMT2AMAOBNR4A2
SCHEMBL10328616 0.85 RXRA (0.52) PTGER4LDHAMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105481812-B Preparation method of 5-benzyloxy-4-oxo-4H-pyran-2-carboxylic acid 重庆天奕恒化科技有限公司 2020-04-21 CN claimed
CN-105481812-A 5-benzyloxy-4-oxo-4H-pyran-2-carboxylic acid preparation method CHONGQING TIANYI HENGHUA TECH CO LTD 2016-04-13 CN claimed
CN-116669727-A Triazole-pyridinyl substituted azacyclohexylacetic acid compounds as LPA receptor antagonists 唯久生物有限公司 2023-08-29 CN disclosed
EP-4196220-A1 TRIAZOLE-PYRIDINYL SUBSTITUTED AZACYCLOHEXYL ACETIC ACID COMPOUNDS AS LPA RECEPTOR ANTAGONISTS Viva Star Biosciences Limited (HK) 2023-06-21 EP disclosed
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES AUTOTAC INC. (KR) 2022-12-22 US disclosed
US-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES AUTOTAC INC. (KR) 2022-12-22 US disclosed
WO-2022034568-A1 TRIAZOLE-PYRIDINYL SUBSTITUTED AZACYCLOHEXYL ACETIC ACID COMPOUNDS AS LPA RECEPTOR ANTAGONISTS VIVA STAR BIOSCIENCES LIMITED (CN) 2022-02-17 WO disclosed
WO-2021054804-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES 주식회사 오토텍바이오 2021-03-25 WO disclosed
EP-2542076-B1 INHIBITORS OF CATECHOL O-METHYL TRANSFERASE AND THEIR USE IN THE TREATMENT OF PSYCHOTIC DISORDERS MERCK SHARP & DOHME (US) 2021-01-13 EP disclosed
CN-105481812-B Preparation method of 5-benzyloxy-4-oxo-4H-pyran-2-carboxylic acid 重庆天奕恒化科技有限公司 2020-04-21 CN disclosed
CN-105481812-B Preparation method of 5-benzyloxy-4-oxo-4H-pyran-2-carboxylic acid 重庆天奕恒化科技有限公司 2020-04-21 CN disclosed
EP-0243924-B1 2-OXO-1-(SUBSTITUTED PHOSPHOROUS)AZETIDINES E.R. Squibb & Sons, Inc. (US) 1992-12-23 EP disclosed
EP-0209751-B1 CEPHALOSPORIN DERIVATIVES AND BACTERICIDES CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 1992-09-16 EP disclosed
US-4758557-A Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA, LTD. (JP) 1988-07-19 US disclosed
US-4743685-A 2-oxo-1-[[(substituted sulfonyl)amino]carbonyl]azetidines E. R. SQUIBB & SONS, INC. (US) 1988-05-10 US disclosed
US-4723002-A 1-(substituted phosphorous)-azetidinone antibacterials E. R. SQUIBB & SONS, INC. 1988-02-02 US disclosed
EP-0243924-A2 2-Oxo-1-(substituted phosphorous)azetidines E.R. Squibb & Sons, Inc. (US) 1987-11-04 EP disclosed
EP-0209751-A2 Cephalosporin derivatives and bactericides containing the same MEIJI SEIKA KAISHA LTD. (JP) 1987-01-28 EP disclosed
US-4632985-A 3-acylamino-2-oxo-1-azetidinesulfonic acids E. R. SQUIBB & SONS, INC. (US) 1986-12-30 US disclosed
EP-0204207-A1 3-acylamino-2-oxo-1-azetidinesulfonic acids E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP 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-20220402873-A1 NOVEL P62 LIGAND COMPOUND, AND COMPOSITION CONTAINING SAME FOR PREVENTING, AMELIORATING, OR TREATING PROTEINOPATHIES SQSTM1, ATG7, ATG13 PTGER4 4432/4885LDHA 2555/4885MEN1 2082/4885

“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.