SCHEMBL4472584

SCHEMBL4472584

Cc1cc(Br)ccc1C(C)(C)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
ALDH1A1 P00352 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
JAK2 O60674 1/20 0.34
BTK Q06187 1/20 0.34
HSD11B1 P28845 1/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
PYCR1 P32322 1/20 0.33
AAK1 Q2M2I8 1/20 0.32
POLB P06746 1/20 0.32
DHODH Q02127 1/20 0.32
DGAT1 O75907 1/20 0.31

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
SCHEMBL25593793 0.84 PTGDR2 (0.38) RAB9ACA1CA2SIGMAR1ALDH1A1
SCHEMBL7847441 0.84 PTGDR2 (0.40) RAB9ACA2ALDH1A1PTGDR2ALOX15
SCHEMBL12083401 0.84 PTGDR2 (0.40) RAB9ACA1CA2SIGMAR1ALDH1A1
SCHEMBL19859263 0.80 PDE2A (0.36) RAB9ACA1CA2SIGMAR1ALDH1A1
SCHEMBL15210675 0.80 KDM4E (0.39) ALDH1A1PTGDR2ALOX15MAPK1HSD11B1
SCHEMBL24633610 0.80 PDE2A (0.36) RAB9ACA1CA2SIGMAR1ALDH1A1
SCHEMBL1328840 0.80 DGAT1 (0.42) RAB9AALDH1A1PTGDR2ALOX15KMT2A
SCHEMBL14879742 0.80 ALOX15 (0.43) ALDH1A1PTGDR2ALOX15MEN1MAPT
SCHEMBL2801055 0.80 SIGMAR1 (0.34) RAB9ACA1CA2SIGMAR1ALDH1A1
SCHEMBL9272585 0.79 ESR1 (0.41) ALDH1A1ALOX15MEN1KMT2A

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
WO-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 WO disclosed
WO-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 WO disclosed
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2018-08-28 US disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
EP-2976341-B1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME (US) 2018-02-28 EP disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 US disclosed
EP-2976341-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2016-01-27 EP disclosed
WO-2014146493-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-09-25 WO disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
US-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same PFIZER INC 2009-11-12 US disclosed
EP-1781662-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME Pfizer, Inc. (US) 2007-05-09 EP disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME AGOURON PHARMACEUTICALS, INC. 2007-01-18 US disclosed
US-7151105-B2 Inhibitors of Hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. (US) 2006-12-19 US disclosed
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same AGOURON PHARMACEUTICALS, INC. 2006-06-08 US disclosed
WO-2006018725-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME PFIZER INC. (US) 2006-02-23 WO 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 (5 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-20090281122-A1 Inhibitors of Hepatitis C Virus RNA-Dependent RNA Polymerase, and Compositions and Treatments Using the Same RNASE1, GTF3C4, POLRMT RAB9A 3785/4885CA1 4169/4885CA2 3940/4885
US-20060122399-A1 Inhibitors of hepatitis C virus RNA-dependent RNA polymerase, and compositions and treatments using the same RNASE1, GTF3C4, POLRMT RAB9A 3785/4885CA1 4169/4885CA2 3940/4885
US-20070015764-A1 INHIBITORS OF HEPATITIS C VIRUS RNA-DEPENDENT RNA POLYMERASE, AND COMPOSITIONS AND TREATMENTS USING THE SAME RNASE1, GTF3C4, POLRMT RAB9A 3785/4885CA1 4169/4885CA2 3940/4885
US-20160272634-A1 ACYCLIC CYANOETHYLPYRAZOLO PYRIDONES AS JANUS KINASE INHIBITORS JAK1, JAK2, JAK3 RAB9A 2130/4885CA1 3144/4885CA2 1790/4885
US-10059705-B2 Acyclic cyanoethylpyrazolo pyridones as janus kinase inhibitors JAK1, JAK2, JAK3 RAB9A 2130/4885CA1 3144/4885CA2 1790/4885

“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.