SCHEMBL475680

SCHEMBL475680

COC(=O)c1cc(I)cc(C(=O)OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.58
CA2 P00918 4/20 0.58
CA12 O43570 3/20 0.58
CA7 P43166 3/20 0.58
CA9 Q16790 3/20 0.58
CA14 Q9ULX7 3/20 0.58
KDM4E B2RXH2 5/20 0.56
XDH P47989 2/20 0.56
TDP1 Q9NUW8 2/20 0.56
LMNA P02545 2/20 0.56
POLB P06746 2/20 0.56
GAA P10253 1/20 0.56
NFKB1 P19838 1/20 0.56
GFER P55789 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
FUT7 Q11130 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.48

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
SCHEMBL231885 0.95 CA1 (0.58) CA1CA2CA12CA7CA9
SCHEMBL30530249 0.92 KDM4E (0.50) CA1CA2CA12CA7CA9
SCHEMBL3354749 0.92 KDM4E (0.50) CA1CA2CA12CA7CA9
SCHEMBL12993691 0.92 CA12 (0.50) CA1CA2CA12CA7CA9
SCHEMBL16960586 0.92 CA1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL5227070 0.90 CA1 (0.48) CA1CA2CA12CA7CA9
SCHEMBL15122932 0.90 KDM4E (0.48) CA1CA2CA12CA7CA9
SCHEMBL5226161 0.90 CA12 (0.48) CA1CA2CA12CA7CA9
SCHEMBL15122930 0.88 CA1 (0.47) CA1CA2CA12CA7CA9
SCHEMBL31401260 0.87 ATM (0.52) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178092-B Preparation method of 1, 4-tetraphenyl-1, 3-butadiene and derivatives thereof 苏州大学 2024-11-22 CN claimed
CN-116178092-A Preparation method of 1, 4-tetraphenyl-1, 3-butadiene and derivatives thereof 苏州大学 2023-05-30 CN claimed
CN-115745771-A Preparation method of biphenyl aromatic conjugated polycarboxylic acid 常州大学 2023-03-07 CN claimed
EP-4687854-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY Flagship Labs 114, Inc. (US) 2026-02-11 EP disclosed
US-20260021469-A1 POROUS SUPRAMOLECULAR CRYSTALS AND METHODS OF MAKING AND USING THE SAME FOR HYDROGEN STORAGE UNIV NORTHWESTERN (US) 2026-01-22 US disclosed
CN-121085790-A Crystal form A of 5-dimethyl iodoisophthalate and preparation method and application thereof 中国石油化工股份有限公司 2025-12-09 CN disclosed
CN-119912363-A Method for preparing alpha-aryl cyclic ketone compound by photo-oxidation reduction catalysis 西北大学 2025-05-02 CN disclosed
CN-119750698-A Adsorption separation device and method for heavy water purification and application 派瑞科技有限公司 2025-04-04 CN disclosed
CN-119505259-A Heteroatom-containing stable mixed valence metal organic framework material and preparation method and application thereof 化学与精细化工广东省实验室揭阳分中心 2025-02-25 CN disclosed
CN-116178092-B Preparation method of 1, 4-tetraphenyl-1, 3-butadiene and derivatives thereof 苏州大学 2024-11-22 CN disclosed
WO-2024211865-A2 LIPIDS AND LIPID-LIKE COMPOUNDS FOR THERAPEUTIC LIPID NANOPARTICLE (LNP) DELIVERY OMEGA THERAPEUTICS, INC. (US) 2024-10-10 WO 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
US-5861421-A 4,4-(disubstituted) cyclohexan-1-one monomers and related compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-01-19 US disclosed
EP-0855400-A1 Phenylphosphonic acid derivative and production process therefor NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1998-07-29 EP disclosed
EP-0800393-A4 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-05-06 EP disclosed
EP-0800393-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
CN-1158606-A Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1997-09-03 CN disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996019995-A1 4,4-(DISUBSTITUTED)CYCLOHEXAN-1-ONE MONOMERS AND RELATED COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-07-04 WO disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 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 (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-20260021469-A1 POROUS SUPRAMOLECULAR CRYSTALS AND METHODS OF MAKING AND USING THE SAME FOR HYDROGEN STORAGE FLOT1, OR10J3, SLC9A2 CA1 321/4885CA2 148/4885CA12 361/4885

“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.