SCHEMBL660788

SCHEMBL660788

NC(=O)CCC(=O)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.68
MAPT P10636 4/20 0.61
TDP1 Q9NUW8 4/20 0.61
L3MBTL1 Q9Y468 3/20 0.61
LMNA P02545 3/20 0.61
ALDH1A1 P00352 4/20 0.61
CYP2C19 P33261 2/20 0.61
GAA P10253 1/20 0.61
MAPK1 P28482 3/20 0.57
POLB P06746 2/20 0.57
USP2 O75604 1/20 0.57
HTT P42858 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
CTNNB1 P35222 1/20 0.57
WNT3A P56704 1/20 0.57
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
CYP3A4 P08684 2/20 0.56
KDM4E B2RXH2 1/20 0.56
MEN1 O00255 1/20 0.56

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
Acetophenone SCHEMBL11597195 0.90 NR4A2 (0.57) NR4A2MAPTTDP1L3MBTL1LMNA
SCHEMBL1478436 0.89 TDP1 (0.72) NR4A2MAPTTDP1L3MBTL1LMNA
SCHEMBL6156726 0.89 TDP1 (0.79) NR4A2MAPTTDP1L3MBTL1LMNA
SCHEMBL30121738 0.88 NR4A2 (0.85) NR4A2MAPTTDP1L3MBTL1LMNA
SCHEMBL719034 0.88 NR4A2 (0.85) NR4A2MAPTTDP1L3MBTL1LMNA
SCHEMBL11798285 0.88 SMN1; SMN2 (0.72) NR4A2MAPTL3MBTL1LMNAALDH1A1
SCHEMBL1479260 0.87 L3MBTL1 (0.83) NR4A2MAPTTDP1L3MBTL1LMNA
SCHEMBL10789857 0.84 TSHR (0.52) NR4A2MAPTTDP1L3MBTL1LMNA
SCHEMBL7043064 0.83 NR4A2 (0.63) NR4A2MAPTTDP1L3MBTL1LMNA
SCHEMBL1808054 0.81 TDP1 (0.67) NR4A2MAPTTDP1L3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105121433-B Antiviral compound, its pharmaceutically acceptable salt or optical isomer, the method for preparing them and the pharmaceutical composition for being used to prevent or treat viral disease for containing the same as active ingredient 韩国化学研究院 2018-01-23 CN claimed
CN-103059215-A Glycine betaine ester intelligent hydrogel relatively controllable in structure and preparation method and application UNIV SOUTH CHINA TECH 2013-04-24 CN claimed
WO-1999067196-A1 FLUOXETINE PROCESS FROM BENZOYLPROPIONIC ACID SEPRACOR INC. (US) 1999-12-29 WO claimed
EP-3507275-B1 CXCR3 RECEPTOR AGONISTS RECEPTOS LLC (US) 2023-04-26 EP disclosed
US-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELI LILLY AND COMPANY (US) 2020-07-07 US disclosed
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2019-06-27 US disclosed
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELI LILLY AND COMPANY 2018-09-20 US disclosed
US-20180201612-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES UNIVERSITY OF UTAH 2018-07-19 US disclosed
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS ELI LILLY AND COMPANY 2018-05-17 US disclosed
CN-106565621-A Isoxaflutole synthesizing method 上虞颖泰精细化工有限公司 2017-04-19 CN disclosed
CN-105837657-A Chemical total synthesis method of polypeptide without amino acid 陈铭 2016-08-10 CN disclosed
US-4131738-A 6-Hydroxy-PGE1 compounds THE UPJOHN COMPANY (US) 1978-12-26 US disclosed
US-4128713-A 6,7-Didehydro-PGI1 compounds THE UPJOHN COMPANY (US) 1978-12-05 US disclosed
US-4126744-A PROSTACYCLIN, MUSCLE STIMULANTS, PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-11-21 US disclosed
US-4112224-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1978-09-05 US disclosed
US-4109082-A PROSTACYCLIN ANALOGS; SMOOTH MUSCLE STIMULATORS THE UPJOHN COMPANY (US) 1978-08-22 US disclosed
US-4100192-A Inter-phenylene-PG amides THE UPJOHN COMPANY (US) 1978-07-11 US disclosed
US-4097489-A PROSTAGLANDINS THE UPJOHN COMPANY (US) 1978-06-27 US disclosed
US-3936468-A PSYCHOTROPIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-02-03 US disclosed
US-3936468-A PSYCHOTROPIC SUMITOMO CHEMICAL COMPANY, LTD. (JA) 1976-02-03 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 (5 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-10703754-B2 Compounds and compositions for treating chemical warfare agent-induced injuries ELANE, CASP3, MMP8 NR4A2 2731/4885MAPT 2844/4885TDP1 1726/4885
US-20180133170-A1 METHODS AND COMPOSITIONS FOR TREATING DISORDERS TRPA1, TRPV1, TRPV3 NR4A2 1643/4885MAPT 568/4885TDP1 2578/4885
US-20180265511-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 NR4A2 2731/4885MAPT 2844/4885TDP1 1726/4885
US-20180201612-A1 SENSOR COMPOUNDS AND ASSOCIATED METHODS AND DEVICES NCS1, DAXX, CNDP2 NR4A2 1034/4885MAPT 3655/4885TDP1 617/4885
US-20190194202-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CHEMICAL WARFARE AGENT-INDUCED INJURIES ELANE, CASP3, MMP8 NR4A2 2731/4885MAPT 2844/4885TDP1 1726/4885

“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.