SCHEMBL3206015

SCHEMBL3206015

CCCc1cc(Br)ccc1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.47
KDM4E B2RXH2 2/20 0.46
GLA P06280 1/20 0.46
MYC P01106 1/20 0.42
NR4A1 P22736 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN11 Q06124 1/20 0.41
APEX1 P27695 1/20 0.41
MCL1 Q07820 1/20 0.41
PPARA Q07869 1/20 0.41
RXRA P19793 2/20 0.40
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40

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
SCHEMBL11151739 0.90 GABRP (0.51) POLBKDM4EGLAMYCNR4A1
SCHEMBL257249 0.87 KDM4E (0.50) POLBKDM4EGLAMYCNR4A1
SCHEMBL9235741 0.87 PPARA (0.54) POLBMCL1PPARAGABRPGABRD
SCHEMBL15197077 0.86 PTGDR2 (0.44) POLBCTDSP1CYP1A2CYP2C9CYP2C19
SCHEMBL5483765 0.84 DGAT1 (0.51) POLBKDM4EGLACTDSP1CYP1A2
SCHEMBL22557596 0.84 KDM4E (0.47) POLBKDM4EGLAMYCNR4A1
SCHEMBL17008903 0.84 KDM4E (0.47) POLBKDM4EGLAMYCNR4A1
SCHEMBL18397695 0.82 APEX1 (0.51) POLBKDM4EGLAMYCNR4A1
SCHEMBL80902 0.81 RXRA (0.52) KDM4EMYCPTPN1PTPN11MCL1
SCHEMBL17187944 0.81 KDM4E (0.42) POLBKDM4EGLAMYCNR4A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569195-B2 Internal and external donor compounds for olefin polymerization catalysts II BASF CORPORATION (US) 2013-10-29 US claimed
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-12-12 US disclosed
US-11712438-B2 Phenyl derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2023-08-01 US disclosed
EP-3625227-B1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-14 EP disclosed
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators IDORSIA PHARMACEUTICALS LTD (CH) 2022-05-10 US disclosed
EP-3625222-B1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-21 EP disclosed
EP-3625228-B1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-07-07 EP disclosed
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2021-04-22 US disclosed
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2020-06-11 US disclosed
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these KISSEI PHARMACEUTICAL CO., LTD. (JP) 2007-04-05 US disclosed
EP-1679304-A1 AMINO ALCOHOL DERIVATIVE, MEDICINAL COMPOSITION CONTAINING THE SAME, AND USE OF THESE Kissei Pharmaceutical Co., Ltd. (JP) 2006-07-12 EP disclosed
WO-2006063167-A1 1H-PYRROLO[2,3-B]PYRIDINES SMITHKLINE BEECHAM CORPORATION (US) 2006-06-15 WO disclosed
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2006-06-15 US disclosed
CN-1751019-A Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof KISSEI PHARMACEUTICAL (JP) 2006-03-22 CN disclosed
EP-1593666-A1 AMINO ALCOHOL DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME, AND USE THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2005-11-09 EP disclosed
WO-1997027187-A1 ISOXAZOLE AND 2-CYANO-1,3-DIONES DERIVATIVES AND THEIR USE AS HERBICIDES RHONE-POULENC AGRICULTURE LTD. (GB) 1997-07-31 WO disclosed
EP-0206635-B1 PREPARATION OF 3-AMINO-4-HYDROXYBENZOIC ACIDS THE DOW CHEMICAL COMPANY (US) 1989-11-15 EP disclosed
US-4835306-A Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1989-05-30 US disclosed
EP-0206635-A1 Preparation of 3-amino-4-hydroxybenzoic acids THE DOW CHEMICAL COMPANY (US) 1986-12-30 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 (8 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-11712438-B2 Phenyl derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 POLB 3094/4885KDM4E 842/4885GLA 4233/4885
US-20200179383-A1 PHENYL DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 POLB 3141/4885KDM4E 791/4885GLA 4107/4885
US-11839613-B2 Pyrimidine derivatives as PGE2 receptor modulators PTGER1, PTGER4, PTGER2 POLB 1369/4885KDM4E 1571/4885GLA 4283/4885
US-20210113559-A1 PYRIMIDINE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER1, PTGER4, PTGER2 POLB 1369/4885KDM4E 1571/4885GLA 4283/4885
US-20210115031-A1 BENZOFURANE AND BENZOTHIOPHENE DERIVATIVES AS PGE2 RECEPTOR MODULATORS PTGER4, PTGER1, PTGER2 POLB 2801/4885KDM4E 1089/4885GLA 4226/4885
US-20070078184-A1 Amino alcohol derivatives, medicinal composition containing the same, and use of these ADRB2, ADRA2A, ADRA1A POLB 3425/4885KDM4E 2845/4885GLA 2163/4885
US-20060128807-A1 Amino alcohol derivatives, pharmaceutical compositions containing the same, and use thereof ADRB3, ADRA2C, ADRA1A POLB 3869/4885KDM4E 2733/4885GLA 2228/4885
US-11325899-B2 Benzofurane and benzothiophene derivatives as PGE2 receptor modulators PTGER4, PTGER1, PTGER2 POLB 2801/4885KDM4E 1089/4885GLA 4226/4885

“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.