SCHEMBL566608

SCHEMBL566608

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.64
CA1 P00915 4/20 0.64
CA2 P00918 4/20 0.64
CA6 P23280 4/20 0.64
CA9 Q16790 4/20 0.64
CA4 P22748 3/20 0.64
CA7 P43166 3/20 0.64
CA14 Q9ULX7 3/20 0.64
KDM4E B2RXH2 3/20 0.64
MAPT P10636 2/20 0.64
POLB P06746 1/20 0.64
GAA P10253 1/20 0.64
PTGS2 P35354 1/20 0.64
L3MBTL1 Q9Y468 1/20 0.64
TPMT P51580 3/20 0.54
HTT P42858 1/20 0.52
ESR1 P03372 1/20 0.49
KDM5A P29375 2/20 0.48
TSHR P16473 2/20 0.48
TP53 P04637 2/20 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
SCHEMBL30329647 1.00 CA12 (0.64) CA12CA1CA2CA6CA9
SCHEMBL28129734 0.84 EYA3 (0.53) CA12CA1CA2CA6CA9
SCHEMBL11430601 0.83 CPT1B (0.50) CA12CA1CA2CA6CA9
SCHEMBL351139 0.82 CA12 (0.64) CA12CA1CA2CA6CA9
SCHEMBL30574437 0.82 CA12 (0.64) CA12CA1CA2CA6CA9
SCHEMBL2723610 0.81 TPMT (0.58) CA12CA1CA2CA6CA9
SCHEMBL29364242 0.81 TPMT (0.58) CA12CA1CA2CA6CA9
SCHEMBL10594355 0.80 LCK (0.53) CA12CA1CA2CA6CA9
SCHEMBL10962857 0.80 LCK (0.53) CA12CA1CA2CA6CA9
SCHEMBL16675516 0.80 ESR1 (0.47) CA12CA1CA2CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118549570-A Detection method of 13 disinfection byproducts in sediment 上海市环境科学研究院 2024-08-27 CN claimed
CN-118465139-B Rapid screening and identifying method for phosphorus disinfection byproducts based on mass spectrum fragments 同济大学 2024-10-18 CN disclosed
CN-115677616-B Macrocyclic sulfonamide compound, preparation method and medical application thereof 中国药科大学 2024-10-18 CN disclosed
CN-118549570-A Detection method of 13 disinfection byproducts in sediment 上海市环境科学研究院 2024-08-27 CN disclosed
CN-118465139-A Rapid screening and identifying method for phosphorus disinfection byproducts based on mass spectrum fragments 同济大学 2024-08-09 CN disclosed
US-20240219830-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-04 US disclosed
US-20240219830-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-04 US disclosed
US-20240210824-A1 CARBOXYLATE, CARBOXYLIC ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-06-27 US disclosed
US-20240210824-A1 CARBOXYLATE, CARBOXYLIC ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-06-27 US disclosed
EP-3953360-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF MONOACYLGLYCEROL LIPASE (MAGL) HOFFMANN LA ROCHE (CH) 2024-02-28 EP disclosed
EP-0287909-A1 Amyloidosis and Alzheimer's disease diagnostic assay and reagents therefor SALUTAR, INC. (US) 1988-10-26 EP disclosed
US-4778897-A 6H-dibenz[b,e][1,4]oxathiepin compounds MERCK & CO., INC. (US) 1988-10-18 US disclosed
EP-0105692-B1 6-H-DIBENZ(B,E)(1,4)OXATHIEPIN DERIVATIVES AND THEIR PREPARATION MERCK FROSST CANADA INC. (CA) 1988-06-22 EP disclosed
US-4699917-A Anti-asthmatic tetrazolyl 6H-dibenz-[B,E]-[1,4]-oxathiepin derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1987-10-13 US disclosed
US-4663307-A Anti-allergic and anti-thromboembolic 6H-dibenz-[b,e][1,4]-oxathiepin derivatives, compositions, and method of use therefor MERCK FROSST CANADA, INC. (CA) 1987-05-05 US disclosed
US-4582842-A Anti-asthmatic 6H-dibenz-[b,e] [1,4]oxathiepin derivatives, compositions, and method of use therefor MERCK & CO., INC. (US) 1986-04-15 US disclosed
EP-0157963-A1 6H-dibenz (b,e)(1,4)oxathiepin compounds MERCK & CO. INC. (US) 1985-10-16 EP disclosed
EP-0140784-A2 Prostaglandin antagonists MERCK FROSST CANADA INC. (CA) 1985-05-08 EP disclosed
US-4472586-A 6H-Dibenz[b,e][1,4]oxathiepin derivatives MERCK FROSST CANADA, INC. (CA) 1984-09-18 US disclosed
EP-0105692-A1 6-H-dibenz(b,e)(1,4)oxathiepin derivatives and their preparation MERCK FROSST CANADA INC. (CA) 1984-04-18 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 (2 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-20240210824-A1 CARBOXYLATE, CARBOXYLIC ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SCO2, CBR1, OXGR1 CA12 224/4885CA1 113/4885CA2 87/4885
US-20240219830-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN H1-0, HCN3, RER1 CA12 465/4885CA1 98/4885CA2 26/4885

“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.