SCHEMBL9967711

SCHEMBL9967711

CC(C)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.48
CYP1A2 P05177 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
HSD17B10 Q99714 1/20 0.42
FBP1 P09467 1/20 0.42
MAOB P27338 2/20 0.40
NFE2L2 Q16236 2/20 0.40
MAOA P21397 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
SCHEMBL14465008 1.00 AHR (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL10131184 1.00 AHR (0.48) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL30953547 0.83 AHR (0.43) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL12784385 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL2080028 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL12784436 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL2077776 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL10365515 0.82 AHR (0.45) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL2077774 0.82 ADRB2 (0.46) AHRCYP1A2ALOX5PTGS1PTGS2
SCHEMBL23623944 0.81 TYR (0.54) PTGS1PTGS2NFE2L2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220153732-A1 PROTEIN SECRETION INHIBITORS ENODIA THERAPEUTICS SAS (FR) 2022-05-19 US disclosed
US-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY NOVARTIS PHARMA AG (CH) 2022-01-27 US disclosed
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF HEPANOVA, INC. 2021-11-04 US disclosed
US-11090325-B2 Compositions for treating ebola virus infection REDHILL BIOPHARMA LTD. (IL) 2021-08-17 US disclosed
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof HEPANOVA, INC. (US) 2021-05-11 US disclosed
EP-3239139-B1 CHEMICAL SYNTHESIS AND ANTI-TUMOR AND ANTI-METASTATIC EFFECTS OF DUAL FUNCTIONAL CONJUGATE NINGBO COMBIREG PHARMACEUTICAL TECH CO LTD (CN) 2020-10-28 EP disclosed
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION REDHILL BIOPHARMA LTD (IL) 2020-05-21 US disclosed
US-10463654-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2019-11-05 US disclosed
US-20180125831-A1 COMBINATION THERAPIES FOR TREATING CANCER REDHILL BIOPHARMA LTD (IL) 2018-05-10 US disclosed
US-9844540-B2 Combination therapies for treating cancer REDHILL BIOPHARMA LTD. (IL) 2017-12-19 US disclosed
US-8633205-B2 Substituted pyrrolo[2,3-d]pyrimidines as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-21 US disclosed
US-20130184240-A1 HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT SHIONOGI & CO., LTD. (JP) 2013-07-18 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-8283368-B2 Selective ligands for the dopamine 3 (D3) receptor and methods of using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-09 US disclosed
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones BAYER CROPSCIENCE AG (DE) 2012-06-21 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2011-07-28 US disclosed
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives OR YAT SUN 2009-12-31 US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 US disclosed
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase VERTEX PHARMACEUTICALS INCORPORATED 2007-01-04 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 (13 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-20220024906-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY STING1, CGAS, IRF3 AHR 2635/4885CYP1A2 4719/4885ALOX5 2740/4885
US-20130184240-A1 HETERO RING-FUSED IMIDAZOLE DERIVATIVE HAVING AMPK ACTIVATING EFFECT PRKAA1, PRKAA2, PRKAG1 AHR 1693/4885CYP1A2 2726/4885ALOX5 4503/4885
US-20070004762-A9 Pyrrolopyrimidines useful as inhibitors of protein kinase PRKDC, MAP3K20, MAP3K5 AHR 4279/4885CYP1A2 3753/4885ALOX5 3754/4885
US-20180125831-A1 COMBINATION THERAPIES FOR TREATING CANCER TPMT, KRAS, ACE AHR 930/4885CYP1A2 437/4885ALOX5 4276/4885
US-20200155585-A1 COMPOSITIONS FOR TREATING EBOLA VIRUS INFECTION NEFM, EIF2AK2, IRF3 AHR 4876/4885CYP1A2 4500/4885ALOX5 1356/4885
US-20120157306-A1 Substituted Fused Pyrimidinones and Dihydropyrimidinones DHPS, FDPS, DPYD AHR 1551/4885CYP1A2 862/4885ALOX5 3707/4885
US-20220153732-A1 PROTEIN SECRETION INHIBITORS SEC61B, SEC61A1, SEC61G AHR 4396/4885CYP1A2 3277/4885ALOX5 3874/4885
US-20110184033-A1 Selective Ligands for the Dopamine 3 (D3) Receptor and Methods of using the Same DRD3, HTR3C, HTR3A AHR 312/4885CYP1A2 1924/4885ALOX5 2826/4885
US-11000491-B2 Amino-aryl-benzamide compounds and methods of use thereof AADAC, GOT2, ABAT AHR 38/4885CYP1A2 272/4885ALOX5 502/4885
US-20090324577-A1 6-11 Bicyclic Ketolide Derivatives AKR1C2, AKR1C3, AKR1C1 AHR 2449/4885CYP1A2 104/4885ALOX5 736/4885
US-10463654-B2 Combination therapies for treating cancer TPMT, KRAS, ACE AHR 930/4885CYP1A2 437/4885ALOX5 4276/4885
US-20210338610-A1 AMINO-ARYL-BENZAMIDE COMPOUNDS AND METHODS OF USE THEREOF AADAC, GOT2, ABAT AHR 38/4885CYP1A2 272/4885ALOX5 502/4885
US-11090325-B2 Compositions for treating ebola virus infection NEFM, EIF2AK2, IRF3 AHR 4876/4885CYP1A2 4500/4885ALOX5 1356/4885

“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.