SCHEMBL330704

SCHEMBL330704

[O]c1cc(Cl)c(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HPGD P15428 5/20 0.47
HSD17B10 Q99714 5/20 0.47
CYP3A4 P08684 3/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
AHR P35869 6/20 0.41
TSHR P16473 5/20 0.40
CASP1 P29466 1/20 0.40
CYP1B1 Q16678 1/20 0.39
HSP90AA1 P07900 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36

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
SCHEMBL6748353 0.73 GRIN2D (0.33)
SCHEMBL6873138 0.73 HSD17B10 (0.58) ALDH1A1HPGDHSD17B10CYP3A4CRHBP
SCHEMBL12817945 0.71 CYP3A4 (0.56) ALDH1A1HPGDHSD17B10CYP3A4CRHBP
SCHEMBL2906064 0.69 AHR (0.67) ALDH1A1HPGDHSD17B10CYP3A4CRHBP
SCHEMBL358001 0.69 ALDH1A1 (1.00) ALDH1A1HPGDHSD17B10CYP3A4CRHBP
SCHEMBL788954 0.67 CES2 (0.33)
SCHEMBL330756 0.67
SCHEMBL3757280 0.67 CYP3A4 (0.52) ALDH1A1HPGDCYP3A4TSHR
SCHEMBL9819330 0.67 CYP3A4 (0.59) ALDH1A1HPGDHSD17B10CYP3A4CRHBP
SCHEMBL12817947 0.67 CYP3A4 (0.59) ALDH1A1HPGDHSD17B10CYP3A4CRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
US-10124326-B2 Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization reaction SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2018-11-13 US disclosed
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170225155-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIOGOMERIZATION REACTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-08-10 US disclosed
EP-3202822-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIGOMERIZATION REACTION Sumitomo Chemical Company Limited (JP) 2017-08-09 EP disclosed
EP-2841433-B1 TETRAZOLINONE COMPOUNDS AND ITS USE SUMITOMO CHEMICAL CO (JP) 2017-06-21 EP disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
US-9380782-B2 Tetrazolinone compounds and its use SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-07-05 US disclosed
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-05-04 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-0751130-A1 4,5-DIHYDROPYRAZOLE-5-THIONE DERIVATIVES AND ACARICIDE CONTAINING THE SAME OTSUKA KAGAKU KABUSHIKI KAISHA (JP) 1997-01-02 EP disclosed
EP-0247381-B1 5-FLUROROURACIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-04 EP disclosed
US-5047521-A Anticarcinogenic agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-09-10 US disclosed
EP-0247381-A2 5-flurorouracil derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1987-12-02 EP disclosed
EP-0072529-B1 SULFUR-SUBSTITUTED PHENOXYPYRIDINES HAVING ANTIVIRAL ACTIVITY THE DOW CHEMICAL COMPANY (US) 1986-01-29 EP disclosed
EP-0072529-A1 Sulfur-substituted phenoxypyridines having antiviral activity THE DOW CHEMICAL COMPANY (US) 1983-02-23 EP disclosed
US-4371537-A Sulfur-substituted phenoxypyridines having antiviral activity THE DOW CHEMICAL COMPANY (US) 1983-02-01 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 (6 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-20170225155-A1 MODIFIED SOLID POLYALKYLALUMINOXANE AND CATALYST FOR OLEFIN OLIOGOMERIZATION REACTION OGFR, GFER, ITGB7 ALDH1A1 1064/4885HPGD 4313/4885HSD17B10 1384/4885
US-20060094767-A1 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles NR2C2, NR4A3, NR4A2 ALDH1A1 355/4885HPGD 3159/4885HSD17B10 467/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885HPGD 1739/4885HSD17B10 1172/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885HPGD 1739/4885HSD17B10 1172/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 ALDH1A1 345/4885HPGD 1739/4885HSD17B10 1172/4885
US-10124326-B2 Modified solid polyalkylaluminoxane and catalyst for olefin oligomerization reaction GFER, OGFR, TECR ALDH1A1 1567/4885HPGD 4379/4885HSD17B10 1069/4885

“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.