SCHEMBL1313506

SCHEMBL1313506

CCOC(=O)c1ccc(I)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.72
CA1 P00915 6/20 0.72
CA2 P00918 6/20 0.72
CA7 P43166 6/20 0.72
CA9 Q16790 6/20 0.72
CA14 Q9ULX7 6/20 0.72
HSD17B2 P37059 1/20 0.59
ESR1 P03372 2/20 0.58
ESR2 Q92731 1/20 0.58
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
MAOA P21397 1/20 0.51
HCRTR1 O43613 2/20 0.51
PTPN11 Q06124 1/20 0.48
STS P08842 1/20 0.47
NR1H2 P55055 1/20 0.47
NR1H3 Q13133 1/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 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
SCHEMBL337806 0.86 ESR1 (0.72) CA12CA1CA2CA7CA9
SCHEMBL28417178 0.86 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL8284386 0.84 CA12 (0.59) CA12CA1CA2CA7CA9
SCHEMBL39791 0.84 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL29625511 0.84 CA12 (1.00) CA12CA1CA2CA7CA9
SCHEMBL14841131 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL26586723 0.83 CA12 (0.49) CA12CA1CA2CA7CA9
Water SCHEMBL16678551 0.82 CA12 (0.96) CA12CA1CA2CA7CA9
SCHEMBL190407 0.82 CA12 (0.77) CA12CA1CA2CA7CA9
SCHEMBL3666786 0.81 LMNA (0.59) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518763-B2 Macrocyclic compound and use thereof SCOHIA PHARMA, INC. (JP) 2022-12-06 US disclosed
US-11518763-B2 Macrocyclic compound and use thereof SCOHIA PHARMA, INC. (JP) 2022-12-06 US disclosed
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2022-04-21 US disclosed
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2022-04-21 US disclosed
EP-3890738-A1 MACROCYCLIC COMPOUND AND USE THEREOF Scohia Pharma, Inc. (JP) 2021-10-13 EP disclosed
CN-113164468-A Macrocyclic compounds and uses thereof 思可海雅药品公司 2021-07-23 CN disclosed
CN-107207444-B Bicyclic compounds 武田药品工业株式会社 2020-07-24 CN disclosed
WO-2020116660-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2020-06-11 WO disclosed
WO-2020116660-A1 MACROCYCLIC COMPOUND AND USE THEREOF SCOHIA PHARMA, INC. (JP) 2020-06-11 WO disclosed
EP-3225618-B1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2020-05-06 EP disclosed
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia GLAXO GROUP LIMITED (GB) 2006-03-09 US 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
EP-1539158-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2005-06-15 EP disclosed
WO-2004006922-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
WO-2004006923-A1 ARYL PIPERIDINE DERIVATIVES AS INDUCERS OF LDL-RECEPTOR EXPRESSION FOR THE TREATMENT OF HYPERCHOLESTEROLEMIA GLAXO GROUP LIMITED (GB) 2004-01-22 WO disclosed
EP-0938483-B1 MUSCARINIC ANTAGONISTS SCHERING CORP (US) 2003-02-26 EP disclosed
CN-1084743-C Muscarinic antagonists SCHERING CORP (US) 2002-05-15 CN disclosed
CN-1232462-A Muscarinic antagonists SCHERING CORP (US) 1999-10-20 CN disclosed
EP-0938483-A2 MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 1999-09-01 EP disclosed
WO-1998005292-A2 PIPERIDINE AND PIPERAZINE DERIVATIVES AND THEIR USE AS MUSCARINIC ANTAGONISTS SCHERING CORPORATION (US) 1998-02-12 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 (3 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-11518763-B2 Macrocyclic compound and use thereof TFAM, KEAP1, FASTKD1 CA12 4266/4885CA1 4500/4885CA2 4163/4885
US-20220119391-A1 MACROCYCLIC COMPOUND AND USE THEREOF TFAM, KEAP1, CKMT1A; CKMT1B CA12 4263/4885CA1 4436/4885CA2 4132/4885
US-20060052384-A1 Aryl piperidine derivatives as inducers of ldl-receptor expression for the treatment of hypercholesterolemia LDLR, NR1H2, NR1H3 CA12 4883/4885CA1 4881/4885CA2 4848/4885

“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.