SCHEMBL625622

SCHEMBL625622

COc1ccccc1OC(F)(F)F

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.62
CA2 P00918 3/20 0.62
CA7 P43166 2/20 0.62
CA9 Q16790 2/20 0.62
CA12 O43570 1/20 0.62
CA4 P22748 1/20 0.62
CA14 Q9ULX7 1/20 0.62
ALDH1A1 P00352 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
KCNK3 O14649 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
GRIN2B Q13224 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44
ADRA2B P18089 1/20 0.44
PTGS1 P23219 1/20 0.44
ENPP2 Q13822 1/20 0.41

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
SCHEMBL29435933 1.00 CA1 (0.62) CA1CA2CA7CA9CA12
SCHEMBL4654446 0.87 RXRA (0.47) CA1CA2CA7CA9CA12
SCHEMBL17039548 0.80 KCNK3 (0.44) CA1CA2CA7CA9CA12
SCHEMBL2495060 0.80 SMN1; SMN2 (0.45) CA1CA2CA7CA9CA12
SCHEMBL6443536 0.80 CA1 (0.54) CA1CA2CA7CA9CA12
SCHEMBL6442063 0.80 CA1 (0.54) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL28757168 0.79 CA1 (0.87) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL29351917 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL5308636 0.79 CA1 (1.00) CA1CA2CA7CA9CA12
1,2-Dimethoxybenzene SCHEMBL105872 0.79 CA1 (1.00) CA1CA2CA7CA9CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090309070-A1 COMPOSITIONS FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2009-12-17 US claimed
US-12133453-B2 Polymer, composition for organic electroluminescent element, organic electroluminescent element, organic EL display device, organic EL lighting, and manufacturing method for organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2024-10-29 US disclosed
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF CORNELL UNIVERSITY (US) 2024-07-18 US disclosed
US-20240107870-A1 POLYMER, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC EL DISPLAY DEVICE, ORGANIC EL LIGHTING, AND MANUFACTURING METHOD FOR ORGANIC ELECTROLUMINESCENT ELEMENT MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-28 US disclosed
US-11943997-B2 Polymer, composition for organic electroluminescent element, organic electroluminescent element, organic EL display device, organic EL lighting, and manufacturing method for organic electroluminescent element MITSUBISHI CHEMICAL CORPORATION (JP) 2024-03-26 US disclosed
CN-112955436-B 6-oxo-1, 6-dihydropyridazine derivatives, preparation method and application thereof in medicines 福建盛迪医药有限公司 2023-08-11 CN disclosed
WO-2022059725-A1 POLYMER 三菱ケミカル株式会社 2022-03-24 WO disclosed
US-11185514-B2 Aqueous solution comprising a polyphenol OPTERION HEALTH AG (CH) 2021-11-30 US disclosed
EP-3907218-A1 6-OXO-1,6-DIHYDROPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF Jiangsu Hengrui Medicine Co., Ltd. (CN) 2021-11-10 EP disclosed
US-11160766-B2 Peritoneal therapeutic fluid OPTERION HEALTH AG (CH) 2021-11-02 US disclosed
US-7273879-B2 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-25 US disclosed
EP-1539744-A4 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARM INC (US) 2007-06-06 EP disclosed
US-20060182993-A1 COMPOSITIONS FOR ORGANIC ELECTROLUMINESCENT DEVICE AND ORGANIC ELECTROLUMINESCENT DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2006-08-17 US disclosed
US-20060014962-A1 Thiadiazole compound and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-01-19 US disclosed
US-20050215578-A1 Thiadiazole compounds and use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-09-29 US disclosed
EP-1550661-A1 THIADIAZOLE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2005-07-06 EP disclosed
EP-1539744-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY Vicuron Pharmaceuticals, Inc. (US) 2005-06-15 EP disclosed
EP-1475374-A1 THIADIAZOLE COMPOUNDS AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2004-11-10 EP disclosed
WO-2004007444-A2 N-HYDROXYAMIDE DERIVATIVES POSSESSING ANTIBACTERIAL ACTIVITY VICURON PHARMACEUTICALS, INC. (US) 2004-01-22 WO disclosed
WO-1998017660-A1 PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 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 (5 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-11160766-B2 Peritoneal therapeutic fluid FABP6, ALB, FABP2 CA1 491/4885CA2 2279/4885CA7 855/4885
US-11185514-B2 Aqueous solution comprising a polyphenol SORD, SI, AQP1 CA1 1659/4885CA2 3012/4885CA7 455/4885
US-20050215578-A1 Thiadiazole compounds and use thereof C5, C3AR1, TH CA1 4786/4885CA2 4499/4885CA7 3031/4885
US-20240239774-A1 SOLUBLE ADENYLYL CYCLASE (SAC) INHIBITORS AND USES THEREOF UACA, ADCYAP1R1, ADCY1 CA1 2579/4885CA2 1239/4885CA7 1038/4885
US-20060014962-A1 Thiadiazole compound and use thereof CBR3, TH, CYP2E1 CA1 4504/4885CA2 3465/4885CA7 1153/4885

“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.