SCHEMBL6690160

SCHEMBL6690160

CCCC(O)c1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.53
GAA P10253 1/20 0.49
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
ADRB2 P07550 1/20 0.41
HTR1A P08908 1/20 0.41
CYP51A1 Q16850 1/20 0.40
BRD4 O60885 1/20 0.39
FFAR2 O15552 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39

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
SCHEMBL9772894 1.00 AOC3 (0.53) AOC3GAALMNASMN1; SMN2SLC6A2
SCHEMBL9772644 1.00 AOC3 (0.53) AOC3GAALMNASMN1; SMN2SLC6A2
SCHEMBL11620920 0.94 AOC3 (0.49) AOC3GAALMNASMN1; SMN2SLC6A2
SCHEMBL24174177 0.89 AOC3 (0.52) AOC3GAALMNASMN1; SMN2SLC6A2
SCHEMBL6683963 0.89 AOC3 (0.52) AOC3GAALMNASMN1; SMN2SLC6A2
SCHEMBL21633858 0.89 LMNA (0.48) AOC3LMNASMN1; SMN2HTR1A
SCHEMBL23588163 0.88 AOC3 (0.50) AOC3GAALMNASMN1; SMN2SLC6A2
SCHEMBL9814079 0.86 AOC3 (0.49) AOC3GAASLC6A2SLC6A4SLC6A3
SCHEMBL6055300 0.84 LMNA (0.41) AOC3LMNASMN1; SMN2
SCHEMBL4839687 0.84 AOC3 (0.47) AOC3GAALMNASMN1; SMN2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912556-B Synthesis method of alpha, beta-dicarbonyl-1, 2, 3-triazole compound 武汉工程大学 2023-06-09 CN disclosed
EP-3704118-B1 AMINOIMIDAZOPYRIDAZINES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-01-12 EP disclosed
CN-113912556-A Synthetic method of alpha, beta-dicarbonyl-1, 2, 3-triazole compound 武汉工程大学 2022-01-11 CN disclosed
WO-2019163946-A1 PHYTOTOXICITY REDUCING AGENT CONTAINING BACTERICIDAL COMPOUND AS ACTIVE INGREDIENT, AND PHYTOTOXICITY-REDUCED HERBICIDAL COMPOSITION CONTAINING SAID PHYTOTOXICITY REDUCING AGENT AND HERBICIDAL COMPOUND 三井化学アグロ株式会社 2019-08-29 WO disclosed
EP-2970155-B1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE (IDO) BRISTOL MYERS SQUIBB CO (US) 2018-04-25 EP disclosed
US-9675571-B2 Inhibitors of indoleamine 2,3-dioxygenase (IDO) BRISTOL-MYERS SQUIBB COMPANY (US) 2017-06-13 US disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 US disclosed
EP-1436281-B1 PIPERIDINE- AND PIPERAZINEACETAMIDES AS 17BETA HYDROXYSTEROID DEHYDROGENASE TYPE 3 INHIBITORS FOR THE TREATMENT OF ANDROGEN DEPENDENT DISEASES SCHERING CORP (US) 2010-06-16 EP disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 US disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 US disclosed
EP-0985649-B1 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES (JP) 2004-11-24 EP disclosed
US-6462248-B1 THROUGH CONVERSION, ISOMERIZATION AND/OR ADSORPTIVE SEPARATION OF AROMATIC COMPOUNDS TORAY INDUSTRIES, INC. (JP) 2002-10-08 US disclosed
EP-0985649-A2 Method for producing an aromatic compound having an alkyl group with at least three carbon atoms TORAY INDUSTRIES, INC. (JP) 2000-03-15 EP disclosed
US-5068432-A Amination and etherification of a halo alcohol and resolution of a racemic mixture ALDRICH CHEMICAL COMPANY, INC. (US) 1991-11-26 US disclosed
US-4918242-A Novel optically 1,3-phenoxypropylhalides ALDRICH CHEMICAL COMPANY, INC. (US) 1990-04-17 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 AOC3 3343/4885GAA 2975/4885LMNA 4640/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 AOC3 2019/4885GAA 3106/4885LMNA 4626/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS AOC3 40/4885GAA 1412/4885LMNA 4441/4885

“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.