SCHEMBL7596237

SCHEMBL7596237

CCOC(=O)c1cc(I)cc(C(=O)OCC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.62
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 3/20 0.62
CA9 Q16790 3/20 0.62
CA14 Q9ULX7 3/20 0.62
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
ESR1 P03372 3/20 0.52
ESR2 Q92731 1/20 0.52
CYP1A2 P05177 2/20 0.50
LMNA P02545 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAOA P21397 1/20 0.50
KDM4E B2RXH2 1/20 0.47
CYP2D6 P10635 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NPC1 O15118 1/20 0.46
HSD17B2 P37059 1/20 0.46
NR1H2 P55055 1/20 0.46

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
SCHEMBL10179706 0.96 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL3490599 0.93 CYP2C19 (0.60) CA12CA1CA2CA7CA9
SCHEMBL1664013 0.89 CA12 (0.75) CA12CA1CA2CA7CA9
SCHEMBL671606 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL16994125 0.89 CA12 (0.55) CA12CA1CA2CA7CA9
SCHEMBL13290829 0.87 CA12 (0.53) CA12CA1CA2CA7CA9
SCHEMBL4160567 0.87 NPC1 (0.59) CA12CA1CA2CA7CA9
SCHEMBL4162787 0.87 CA1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL1986896 0.86 MEN1 (0.53) CA12CA1CA2CA7CA9
SCHEMBL24628672 0.83 NOTUM (0.49) 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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115745771-A Preparation method of biphenyl aromatic conjugated polycarboxylic acid 常州大学 2023-03-07 CN claimed
CN-109174185-B Titanium-doped ternary metal organic framework material and preparation method thereof 苏州安仕泊环保科技有限公司 2021-04-09 CN claimed
CN-109161029-B Ternary metal organic framework material and preparation method thereof 武汉绿帆世纪科技有限公司 2020-10-23 CN claimed
CN-118955932-A Hydrogen bond organic framework material based on electron-rich alkynyl functionalization, and preparation method and application thereof 浙江大学 2024-11-15 CN disclosed
CN-115745771-A Preparation method of biphenyl aromatic conjugated polycarboxylic acid 常州大学 2023-03-07 CN disclosed
CN-109174185-B Titanium-doped ternary metal organic framework material and preparation method thereof 苏州安仕泊环保科技有限公司 2021-04-09 CN disclosed
CN-109174185-B Titanium-doped ternary metal organic framework material and preparation method thereof 苏州安仕泊环保科技有限公司 2021-04-09 CN disclosed
CN-109161029-B Ternary metal organic framework material and preparation method thereof 武汉绿帆世纪科技有限公司 2020-10-23 CN disclosed
CN-109161029-B Ternary metal organic framework material and preparation method thereof 武汉绿帆世纪科技有限公司 2020-10-23 CN disclosed
EP-3514159-A1 ALUMINIUM METAL ORGANIC FRAMEWORK MATERIAL The Texas A&M University System (US) 2019-07-24 EP disclosed
US-9951095-B2 Chromium metal organic frameworks and synthesis of metal organic frameworks THE TEXAS A&M UNIVERSITY SYSTEM (US) 2018-04-24 US disclosed
US-9102691-B2 Aluminum metal organic framework materials TEXAS A&M UNIVERSITY SYSTEM (US) 2015-08-11 US disclosed
WO-2015079229-A1 PROCESS FOR PREPARING METAL ORGANIC FRAMEWORK MATERIALS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-04 WO disclosed
US-20150152123-A1 Aluminum Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2015-06-04 US disclosed
US-20150152123-A1 Aluminum Metal Organic Framework Materials U.S. DEPARTMENT OF ENERGY 2015-06-04 US disclosed
WO-2015079230-A1 ALUMINIUM METAL ORGANIC FRAMEWORK MATERIALS THE TEXAS A&M UNIVERSITY SYSTEM (US) 2015-06-04 WO disclosed
EP-2876112-A1 Monocrystalline iron metal organic frameworks THE TEXAS A & M UNIVERSITY SYSTEM (US) 2015-05-27 EP disclosed
EP-0855400-B1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL IND LTD (JP) 2002-11-06 EP disclosed
US-5880309-A DIALKYL DIALKOXYCARBONYLPHENYL PHOSPHONATES USEFUL AS RESIN MODIFIERS PRODUCED AT HIGH YIELD AND LOW COST BY HEATING A TRIALKYL PHOSPHITE AND A DIALKOXYCARBONYLPHENYL HALIDE IN THE PRESENCE OF A PALLADIUM OR NICKEL CATALYST AND HYDROLYZING NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-03-09 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 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-20150152123-A1 Aluminum Metal Organic Framework Materials AS3MT, ORAI2, ORAI3 CA12 284/4885CA1 94/4885CA2 113/4885

“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.