SCHEMBL9880773

SCHEMBL9880773

COc1cc(C)cc(Br)c1OC

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.70
TSHR P16473 1/20 0.52
APOBEC3A P31941 1/20 0.52
HTT P42858 1/20 0.52
APOBEC3G Q9HC16 1/20 0.52
TUBB1 Q9H4B7 4/20 0.47
TUBB4A P04350 2/20 0.47
TUBB P07437 2/20 0.47
TUBA3C P0DPH7 2/20 0.47
TUBA1B P68363 2/20 0.47
TUBA4A P68366 2/20 0.47
TUBB4B P68371 2/20 0.47
TUBB3 Q13509 2/20 0.47
TUBB2A Q13885 2/20 0.47
TUBB8 Q3ZCM7 2/20 0.47
TUBA3E Q6PEY2 2/20 0.47
TUBA1A Q71U36 2/20 0.47
TUBA1C Q9BQE3 2/20 0.47
TUBB6 Q9BUF5 2/20 0.47
TUBB2B Q9BVA1 2/20 0.47

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
SCHEMBL3683983 0.85 CA2 (0.54) ACHETSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL171116 0.83 ACHE (1.00) ACHEHTTTUBB1TUBB4ATUBB
SCHEMBL19732198 0.82 ACHE (0.52) ACHETSHRHTTMAPTL3MBTL1
SCHEMBL14954539 0.79 PTPN1 (0.55) ACHETSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL19732194 0.79 ACHE (0.48) ACHETSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL1126364 0.79 ACHE (0.52) ACHEMAPTL3MBTL1KDM4ELMNA
SCHEMBL5085895 0.79 MAPT (0.51) ACHETSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL5236856 0.79 TUBB1 (0.58) ACHETSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL19322018 0.78 ACHE (0.47) ACHETSHRAPOBEC3AHTTAPOBEC3G
SCHEMBL24086743 0.77 CA2 (0.46) ACHETSHRAPOBEC3AHTTAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8816129-B2 PTP1B inhibitors, synthesis thereof and application thereof in preparation of medicaments for treating type 2 diabetes mellitus INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-26 US claimed
US-20130131182-A1 PTP1B INHIBITORS, SYNTHESIS THEREOF AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING TYPE 2 DIABETES MELLITUS INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2013-05-23 US claimed
US-8816129-B2 PTP1B inhibitors, synthesis thereof and application thereof in preparation of medicaments for treating type 2 diabetes mellitus INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-26 US disclosed
US-8816129-B2 PTP1B inhibitors, synthesis thereof and application thereof in preparation of medicaments for treating type 2 diabetes mellitus INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-26 US disclosed
US-8816129-B2 PTP1B inhibitors, synthesis thereof and application thereof in preparation of medicaments for treating type 2 diabetes mellitus INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2014-08-26 US disclosed
US-8765994-B2 Ship 1 modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-07-01 US disclosed
US-8765994-B2 Ship 1 modulators THE UNIVERSITY OF BRITISH COLUMBIA (CA) 2014-07-01 US disclosed
US-20130131182-A1 PTP1B INHIBITORS, SYNTHESIS THEREOF AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING TYPE 2 DIABETES MELLITUS INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2013-05-23 US disclosed
US-20130131182-A1 PTP1B INHIBITORS, SYNTHESIS THEREOF AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING TYPE 2 DIABETES MELLITUS INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2013-05-23 US disclosed
US-20130131182-A1 PTP1B INHIBITORS, SYNTHESIS THEREOF AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING TYPE 2 DIABETES MELLITUS INSTITUTE OF OCEANOLOGY, CHINESE ACADEMY OF SCIENCES (CN) 2013-05-23 US disclosed
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof WISCONSIN ALUMNI RESEARCH FOUNDATION 2012-11-01 US disclosed
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF WISCONSIN ALUMNI RESEARCH FOUNDATION 2010-10-14 US disclosed
US-7737164-B2 Cyanopyridine antibacterial agents WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-06-15 US disclosed
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 US disclosed
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide VELTEN ROBERT 2008-05-15 US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 US disclosed
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction THE UNIVERSITY OF BRITISH COLUMBIA 2008-04-17 US disclosed
WO-2008016738-A2 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2008-02-07 WO disclosed
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS WISCONSIN ALUMNI RESEARCH FOUNDATION 2008-01-10 US disclosed
US-4419517-A ANALGESICS E. I. DU PONT DE NEMOURS & CO. (US) 1983-12-06 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-20130131182-A1 PTP1B INHIBITORS, SYNTHESIS THEREOF AND APPLICATION THEREOF IN PREPARATION OF MEDICAMENTS FOR TREATING TYPE 2 DIABETES MELLITUS PTPA, PPP2CA, PTPRS ACHE 3901/4885TSHR 1075/4885APOBEC3A 4498/4885
US-20080113994-A1 Annelated Quinoline Derivatives As Pesticide DDT, ACHE, SIRT4 ACHE 2/4885TSHR 2903/4885APOBEC3A 2269/4885
US-20120277252-A1 Antibacterial Agents and Methods of Use Thereof FDPS, ABCG2, DUT ACHE 1665/4885TSHR 4271/4885APOBEC3A 1351/4885
US-20080009528-A1 ANTIBACTERIAL AGENTS AND RELATED SCREENING METHODS USING SMALL MOLECULE MACROARRAYS PCNA, ABCG2, API5 ACHE 3642/4885TSHR 4315/4885APOBEC3A 2359/4885
US-20080090909-A1 negative regulator of cell growth factor receptor; pelorol (benzo(a)fluorene) related compounds from marine sponge species; antiinflammatory, antitumor agent, immunostimulant; control gene expression, differentiation, metabolism, phospholipid signaling pathway, signal tansduction STAT1, STING1, IRF3 ACHE 4608/4885TSHR 880/4885APOBEC3A 4769/4885
US-20100261763-A1 ANTIBACTERIAL AGENTS AND METHODS OF USE THEREOF FDPS, CYP3A5, ABCG2 ACHE 1785/4885TSHR 4216/4885APOBEC3A 1160/4885

“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.