SCHEMBL2433666

SCHEMBL2433666

O=C(O)c1cc2cc3cc(C(=O)O)c(C(=O)OC(=O)c4cc5cc6cc(C(=O)O)c(C(=O)O)cc6cc5cc4C(=O)O)cc3cc2cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 4/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
IDO1 P14902 1/20 0.38
ALOX15 P16050 1/20 0.35
CYP1A2 P05177 1/20 0.35
HSD17B10 Q99714 2/20 0.34
GRIN2D O15399 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA4 P22748 2/20 0.33
CA5A P35218 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33

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
SCHEMBL2433986 0.98 ALDH1A1 (0.39) GPR35ALDH1A1KDM4EHPGDIDO1
SCHEMBL769279 0.90 IDO1 (0.53) GPR35ALDH1A1KDM4EHPGDIDO1
SCHEMBL887647 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EHPGDALOX15CYP1A2
Hydrochloric Acid SCHEMBL9081678 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EHPGDALOX15CYP1A2
SCHEMBL628515 0.85 IDO1 (0.57) GPR35ALDH1A1KDM4EHPGDIDO1
SCHEMBL8999881 0.84 GPR35 (0.46) GPR35ALDH1A1KDM4EHPGDIDO1
SCHEMBL204252 0.84 GPR35 (0.46) GPR35ALDH1A1KDM4EHPGDIDO1
SCHEMBL5256289 0.84 KDM4E (0.56) ALDH1A1KDM4EHPGDHSD17B10CA12
SCHEMBL2803876 0.82 KDM4E (0.51) ALDH1A1KDM4EHPGDHSD17B10GRIN2D
SCHEMBL11267492 0.82 MAOA (0.46) ALDH1A1CYP1A2HSD17B10MAOACA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577725-B2 Fiber and fiber structure TEIJIN LIMITED (JP) 2020-03-03 US disclosed
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element TOKYO OHKA KOGYO CO., LTD. (JP) 2018-07-17 US disclosed
US-9981914-B2 2018-05-29 US disclosed
US-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT TOKYO OHKA KOGYO CO., LTD. (JP) 2018-03-29 US disclosed
EP-2374833-B1 METHOD FOR USING CYCLIC CARBODIIMIDE TEIJIN LTD (JP) 2017-12-06 EP disclosed
US-9758496-B2 Method of using a cyclic carbodiimide TEIJIN LIMITED (JP) 2017-09-12 US disclosed
CN-102933565-B cyclic carbodiimide compound 帝人株式会社 2016-11-09 CN disclosed
EP-2380883-B1 CYCLIC CARBODIIMIDE COMPOUNDS TEIJIN LTD (JP) 2015-12-02 EP disclosed
CN-102320976-B Cyclic carbodiimide compounds TEIJIN LIMITED (JP) 2015-08-05 CN disclosed
CN-102597344-B Fiber and fiber structure TEIJIN LTD 2015-05-13 CN disclosed
CN-102933565-A Cyclic carbodiimide compound TEIJIN LTD 2013-02-13 CN disclosed
EP-2530111-A1 FILM Teijin Limited (JP) 2012-12-05 EP disclosed
US-20120302676-A1 FILM TEIJIN LIMITED (JP) 2012-11-29 US disclosed
EP-2479320-A1 FIBER AND FIBER STRUCTURE Teijin Limited (JP) 2012-07-25 EP disclosed
US-20120184166-A1 FIBER AND FIBER STRUCTURE TEIJIN LIMITED (JP) 2012-07-19 US disclosed
CN-102245585-A Cyclic carbodiimide compound TEIJIN LTD 2011-11-16 CN disclosed
EP-2380883-A1 CYCLIC CARBODIIMIDE COMPOUNDS Teijin Limited (JP) 2011-10-26 EP disclosed
US-20110251384-A1 CYCLIC CARBODIIMIDE COMPOUNDS TEIJIN LIMITED (JP) 2011-10-13 US disclosed
EP-2374833-A1 METHOD FOR USING CYCLIC CARBODIMIDE Teijin Limited (JP) 2011-10-12 EP disclosed
US-20110237755-A1 METHOD OF USING A CYCLIC CARBODIIMIDE TEIJIN LIMITED (JP) 2011-09-29 US 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-20180086717-A1 HYDROGEN BARRIER AGENT, HYDROGEN BARRIER FILM FORMING COMPOSITION, HYDROGEN BARRIER FILM, METHOD FOR PRODUCING HYDROGEN BARRIER FILM, AND ELECTRONIC ELEMENT SLC9A2, SLC9A1, NHERF1 GPR35 2360/4885ALDH1A1 3686/4885KDM4E 4167/4885
US-20110251384-A1 CYCLIC CARBODIIMIDE COMPOUNDS APEX1, LIG4, EPB41 GPR35 4069/4885ALDH1A1 2951/4885KDM4E 64/4885
US-10023540-B2 Hydrogen barrier agent, hydrogen barrier film forming composition, hydrogen barrier film, method for producing hydrogen barrier film, and electronic element SLC9A2, SLC9A1, NHERF1 GPR35 2360/4885ALDH1A1 3686/4885KDM4E 4167/4885

“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.