SCHEMBL1495985

SCHEMBL1495985

CCOC(=O)C(C=O)CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SOAT1 P35610 1/20 0.39
HCAR2 Q8TDS4 1/20 0.37
TRPA1 O75762 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GLO1 Q04760 1/20 0.35
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PIN1 Q13526 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 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
SCHEMBL1516015 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9127668 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL14362323 0.82 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9103364 0.81
SCHEMBL10405722 0.81 ALDH1A1 (0.42) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL9686224 0.80 HCAR2 (0.38) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL271883 0.80 MGAM (0.44) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL4685380 0.80 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL27568422 0.80 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10ALOX15MGAM
SCHEMBL167031 0.79 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10ALOX15MGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107417719-B Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2022-11-25 CN claimed
CN-1377266-A Pyruvate ester composition and method of use for resuscitation after events of ischemia and reperfusion MASSTRACE INC (CA) 2002-10-30 CN claimed
US-4997955-A From aldehyde BASF AKTIENGESELLSCHAFT (DE) 1991-03-05 US claimed
CN-107876092-B Application of titanium catalyst with cyclic structure as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2023-01-10 CN disclosed
CN-107417719-B Application of titanium chelate as reaction catalyst for synthesizing benzyl carbonate or diphenyl carbonate by ester exchange 华东理工大学 2022-11-25 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
US-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases HOFFMANN-LA ROCHE INC. (US) 2021-06-01 US disclosed
EP-3255993-B1 INHIBITORS OF THE RENAL OUTER MEDULLARY POTASSIUM CHANNEL MERCK SHARP & DOHME (US) 2021-01-27 EP disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
US-5602137-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5602136-A Pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1997-02-11 US disclosed
US-5571813-A Fused pyrimidine compounds and their use as pharmaceuticals BEIERSDORF-LILLY GMBH (DE) 1996-11-05 US disclosed
EP-0628559-A1 Pyrimidine compounds and their use as pharmaceuticals Beiersdorf-Lilly GmbH (DE) 1994-12-14 EP disclosed
US-4997955-A From aldehyde BASF AKTIENGESELLSCHAFT (DE) 1991-03-05 US disclosed
US-4748165-A ANTISECRETORY AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-31 US disclosed
EP-0067508-B1 AMIDINE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-10-30 EP disclosed
EP-0067508-A1 Amidine derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-22 EP disclosed
US-4278808-A Method of preparing a 3-alkoxy-2-alkyl-propionic acid ester derivative and intermediate therefor BRACCO INDUSTRIA CHIMICA S.P.A. (IT) 1981-07-14 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 (1 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-11021448-B2 1,3-dihydro-1,4-benzodiazepine-2-thiones for the treatment of CNS related diseases CHRM1, CHRM2, CHRM4 ALDH1A1 1148/4885LMNA 4098/4885HSD17B10 2853/4885

“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.