SCHEMBL305826

SCHEMBL305826

CC(I)OC(=O)OC1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.42
CYP19A1 P11511 3/20 0.41
NAAA Q02083 2/20 0.39
HTT P42858 2/20 0.38
CYP2C19 P33261 2/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL16622507 1.00 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL305547 0.98 EPHX1 (0.39) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL9669443 0.94 EPHX1 (0.35) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL305167 0.85 EPHX1 (0.40) EPHX1CYP19A1NAAAHTTCYP2C19
Cilexetil SCHEMBL3483374 0.84 EPHX1 (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL16731836 0.84 EPHX1 (0.44) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL12603500 0.84 EPHX1 (0.42) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL1240114 0.82 EPHX1 (0.43) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL1240113 0.82 EPHX1 (0.43) EPHX1CYP19A1NAAAHTTCYP2C19
SCHEMBL3483069 0.82 EPHX1 (0.41) EPHX1CYP19A1NAAAHTTCYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108440570-B Preparation method of ceftiofur ester compound or halogen salt thereof 济宁市化工研究院 2020-12-04 CN claimed
US-7153972-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2006-12-26 US claimed
US-20050131039-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2005-06-16 US claimed
US-6844443-B2 Benzimidazole derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2005-01-18 US claimed
US-20040044223-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2004-03-04 US claimed
US-20020151723-A1 Benzimidazole derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-10-17 US claimed
US-4935508-A Acylation of 7-aminocephalosporin with alkyl 2-(2-amino-thiazol-4-yl)-2-oximinoacetate BRISTOL-MYERS COMPANY (US) 1990-06-19 US claimed
JP-60218394-A None JP disclosed
US-20230000812-A1 IBUPROFEN ESTER PRODRUG, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-01-05 US disclosed
US-20220274911-A1 ARYLPROPIONIC ACID DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD AND APPLICATION THEREOF NANJING HERON PHARMACEUTICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2022-09-01 US disclosed
CN-114746394-A Aryl propionic acid derivative, pharmaceutical composition, preparation method and application thereof 南京海融医药科技股份有限公司 2022-07-12 CN disclosed
CN-114728883-A Ibuprofen ester prodrug, pharmaceutical composition, preparation method and application 南京海融医药科技股份有限公司 2022-07-08 CN disclosed
EP-4001258-A1 ARYL PROPIONIC ACID DERIVATIVE, PHARMACEUTICAL COMPOSITION, AND METHOD FOR PREPARATION THEREOF AND APPLICATION THEREOF Nanjing Heron Pharmaceutical Science and Technology Co., Ltd. (CN) 2022-05-25 EP disclosed
EP-0304036-A2 3-(substituted)propenyl-7-(aminothiazolylacetamido)ceph-3-em-4-carboxylic acids and esters thereof Bristol-Myers Squibb Company (US) 1989-02-22 EP disclosed
EP-0128029-B1 CEPHALOSPORIN ESTER DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed
EP-0250143-A1 Isoxazolidinone derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-12-23 EP disclosed
US-4616008-A LIPID-SOLUBLE CEPHALOSPORINS AND CYCLODEXTRINS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1986-10-07 US disclosed
EP-0163433-A2 Antibacterial solid composition for oral administation Takeda Chemical Industries, Ltd. (JP) 1985-12-04 EP disclosed
JP-S60218394-A CEPHALOSPORIN ESTER DERIVATIVE TAKEDA CHEM IND LTD 1985-11-01 JP disclosed
EP-0128029-A2 Cephalosporin ester derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1984-12-12 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 (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-20230000812-A1 IBUPROFEN ESTER PRODRUG, PHARMACEUTICAL COMPOSITION, PREPARATION METHOD AND APPLICATION PTGER1, CYP4A11, FABP4 EPHX1 199/4885CYP19A1 19/4885NAAA 623/4885
US-20050131039-A1 Benzimidazole derivatives, their production and use MRM1, CARM1, H1-4 EPHX1 3533/4885CYP19A1 1450/4885NAAA 2315/4885
US-20040044223-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, H1-4 EPHX1 3612/4885CYP19A1 1315/4885NAAA 2213/4885
US-20020151723-A1 Benzimidazole derivatives, their production and use HAT1, MRM1, NSD1 EPHX1 3633/4885CYP19A1 1445/4885NAAA 2468/4885
US-20220274911-A1 ARYLPROPIONIC ACID DERIVATIVE, PHARMACEUTICAL COMPOSITION AND PREPARATION METHOD AND APPLICATION THEREOF CYP2A7, CYP2A6, CYP3A7 EPHX1 952/4885CYP19A1 128/4885NAAA 318/4885

“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.