SCHEMBL3416936

SCHEMBL3416936

O=C(O)c1ccccc1-c1ccc(Br)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.62
AKR1C3 P42330 2/20 0.56
HNF4A P41235 1/20 0.53
BCAT2 O15382 1/20 0.52
AKR1C2 P52895 1/20 0.51
AKR1C1 Q04828 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LTB4R2 Q9NPC1 4/20 0.50
ALOX15 P16050 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
FABP3 P05413 1/20 0.49
FABP4 P15090 1/20 0.49
FABP5 Q01469 1/20 0.49
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.47
KMT2A Q03164 2/20 0.47
MYC P01106 1/20 0.47
MEN1 O00255 1/20 0.47
SMN1; SMN2 Q16637 1/20 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
SCHEMBL18759613 0.89 HNF4A (0.63) HNF4ABCAT2ALDH1A1LTB4R2ALOX15
SCHEMBL30292805 0.89 HNF4A (0.63) HNF4ABCAT2ALDH1A1LTB4R2ALOX15
SCHEMBL11554621 0.87 HNF4A (0.61) SLC6A3HNF4ABCAT2ALDH1A1LTB4R2
SCHEMBL10629615 0.86 SLC6A3 (0.64) SLC6A3AKR1C3HNF4ABCAT2AKR1C2
SCHEMBL32677772 0.85 HNF4A (0.64) HNF4ABCAT2ALDH1A1LTB4R2ALOX15
SCHEMBL32677769 0.85 HNF4A (0.64) HNF4ABCAT2ALDH1A1LTB4R2ALOX15
SCHEMBL505412 0.85 HNF4A (0.64) HNF4ABCAT2ALDH1A1LTB4R2ALOX15
Benzene SCHEMBL1403559 0.85 HNF4A (0.69) HNF4ABCAT2ALDH1A1LTB4R2ALOX15
SCHEMBL133057 0.85 HNF4A (0.69) HNF4ABCAT2ALDH1A1LTB4R2ALOX15
Benzene SCHEMBL28480917 0.85 HNF4A (0.69) HNF4ABCAT2ALDH1A1LTB4R2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP claimed
EP-2149551-A1 N-(indol-3-ylalkyl)-(hetero)arylamid derivatives as modulators of EP2 receptors Bayer Schering Pharma AG (DE) 2010-02-03 EP claimed
US-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AG (DE) 2009-01-22 US claimed
WO-2008152099-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-12-18 WO claimed
EP-2002834-A1 Aryl and hetaryl amides as modulators of EP2 receptors Bayer Schering Pharma Aktiengesellschaft (DE) 2008-12-17 EP claimed
CN-110862368-B Photocatalytic oxidation synthesis method of benzocoumarin compound 浙江工业大学 2021-06-15 CN disclosed
CN-110862368-A Photocatalytic oxidation synthesis method of benzocoumarin compound 浙江工业大学 2020-03-06 CN disclosed
EP-2167077-A2 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR Bayer Schering Pharma Aktiengesellschaft (DE) 2010-03-31 EP disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
US-7625932-B2 Pyrrole and pyrazole derivatives as potentiators of glutamate receptors ELI LILLY AND COMPANY (US) 2009-12-01 US disclosed
EP-1670757-B1 PYRROLE AND PYRAZOLE DERIVATIVES AS POTENTIATORS OF GLUTAMATE RECEPTORS LILLY CO ELI (US) 2009-05-06 EP disclosed
US-5480576-A SILVER ANTITARNISH LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1996-01-02 US disclosed
US-5468410-A Antitarnish for silver LEVER BROTHERS COMPANY 1995-11-21 US disclosed
WO-1995010588-A1 DETERGENT COMPOSITIONS CONTAINING SILVER ANTI-TARNISHING AGENTS UNILEVER N.V. (NL) 1995-04-20 WO disclosed
US-5374369-A Mixture of a bleaching agent, (iso)cyanuric acid, builder and surfactant LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1994-12-20 US disclosed
EP-0461040-A1 Imidazol derivatives, their process for production, intermediates, their application as medicaments and the pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1991-12-11 EP disclosed
EP-0059983-B1 SUBSTITUTED BIPHENYL COMPOUNDS FOR USE AS A MEDICAMENT THE WELLCOME FOUNDATION LIMITED (GB) 1986-06-11 EP disclosed
US-4578522-A CHEMICAL INTERMEDIATES FOR BLOOD LIPID CONTROLLING COMPOUNDS BURROUGHS WELLCOME CO. 1986-03-25 US disclosed
EP-0059983-A1 Substituted biphenyl compounds for use as a medicament THE WELLCOME FOUNDATION LIMITED (GB) 1982-09-15 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-20090023741-A1 ARYL/HETARYLAMIDES AS MODULATORS OF THE EP2 RECEPTOR PTGER2, PTGER1, PTGDR2 SLC6A3 4442/4885AKR1C3 535/4885HNF4A 853/4885

“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.