SCHEMBL905728

SCHEMBL905728

CC(C)COC(C)OC=O

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
TSHR P16473 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
SCHEMBL6379498 0.77
SCHEMBL7095 0.77
SCHEMBL687140 0.75 TSHR (0.37) TSHR
SCHEMBL1572578 0.74 LMNA (0.47) ALDH1A1TSHR
Ethylene SCHEMBL27730761 0.73 LMNA (0.50)
SCHEMBL3366783 0.73
SCHEMBL1173526 0.71
SCHEMBL8847482 0.70 TSHR (0.42) ALDH1A1TSHR
SCHEMBL828246 0.70 ADH1B (0.35) ALDH1A1ADH1BADH1CADH1ATSHR
SCHEMBL11956759 0.70 FOLH1 (0.33) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230266666-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-08-24 US disclosed
US-20230152693-A1 CARBOXYLATE, CARBOXYLIC ACID GENERATOR, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-05-18 US disclosed
EP-2277520-A2 A pharmaceutical composition for angiotensin ii-mediated diseases Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
US-7601728-B2 Bicyclic pyrrole derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-10-13 US disclosed
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-07-30 US disclosed
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2009-06-11 US disclosed
US-20080318922-A1 Bicyclic Pyrrole Derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-25 US disclosed
CN-100371826-C Sulfonate and photoresist composition SUMITOMO CHEMICAL CO (JP) 2008-02-27 CN disclosed
EP-1844774-A2 A pharmaceutical composition for angiotensin II-mediated diseases Takeda Pharmaceutical Company Limited (JP) 2007-10-17 EP disclosed
EP-1829877-A1 BICYCLIC PYRROLE DERIVATIVES Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-05 EP disclosed
EP-0612524-B1 Angiotensin II antagonists for the treatment of viral diseases TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-08-26 EP disclosed
US-5750551-A ANGIOTENSIN INHIBITORS, BENZIMIDAZOLE DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-05-12 US disclosed
US-5721263-A ANGIOTENSIN II ANTAGONIST IN COMBINATION WITH DIURETIC OR CALCIUM ANTAGONIST; TREATING HYPERTENSION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-24 US disclosed
US-5719173-A ADMINISTERING A BENZIMIDAZOLE CARBOXYLATE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-17 US disclosed
EP-0765660-A2 Microcapsules comprising 2-piperazinone-1-acetic acid compounds TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-04-02 EP disclosed
US-5605919-A PREVENTION OF CELL INJURY TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-02-25 US disclosed
EP-0753301-A1 Combination of benzimidazoles having angiotensin-II antagonistic activity with diuretics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-01-15 EP disclosed
EP-0628313-A1 Combination of benzimidazoles having angiotensin-II antagonistic activity with dinretics or calcium antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-12-14 EP disclosed
EP-0622077-A1 Angiotensin II antagonists as a prophylactic or therapeutic drug for renal diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-02 EP disclosed
EP-0612524-A1 Angiotensin II antagonists for the treatment of viral diseases TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-08-31 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 (4 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-20080318922-A1 Bicyclic Pyrrole Derivatives DPP4, DPP7, DPP3 ALDH1A1 62/4885ADH1B 319/4885ADH1C 135/4885
US-20090192129-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 ALDH1A1 22/4885ADH1B 279/4885ADH1C 56/4885
US-20090149483-A1 BICYCLIC PYRROLE DERIVATIVES DPP4, DPP7, DPP3 ALDH1A1 22/4885ADH1B 279/4885ADH1C 56/4885
US-20230266666-A1 SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN H1-0, H1-4, CHRM1 ALDH1A1 1862/4885ADH1B 767/4885ADH1C 254/4885

“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.