SCHEMBL1604129

SCHEMBL1604129

CCCC(=O)CCC(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
MGAM O43451 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 5/20 0.46
TRPA1 O75762 1/20 0.46
HTR2C P28335 1/20 0.44
LMNA P02545 3/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 1/20 0.43
CYP4F2 P78329 2/20 0.41
CYP4A11 Q02928 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.40
NR1I2 O75469 1/20 0.40
PGR P06401 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
PTGS2 P35354 1/20 0.40
PDE4D Q08499 1/20 0.40

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
Ethylene SCHEMBL10804284 0.96 CYP1A2 (0.47) GAAMGAMSIMGAM2CYP1A2
SCHEMBL185784 0.93 GAA (0.57) GAAMGAMSIMGAM2CYP1A2
SCHEMBL4807570 0.86 CYP1A2 (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL28189524 0.86 CYP1A2 (0.57) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6260925 0.86 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL16691682 0.86 GAA (0.50) GAAMGAMSIMGAM2CYP1A2
SCHEMBL10901590 0.85 ALDH1A1 (0.60) GAAMGAMSIMGAM2CYP1A2
SCHEMBL6115 0.85
SCHEMBL17449766 0.85
SCHEMBL1866106 0.85 ALDH1A1 (0.60) GAAMGAMSIMGAM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113150918-A Hawthorn wine with high content of diethyl erythronate and preparation method thereof 河北农业大学 2021-07-23 CN claimed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN claimed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN claimed
US-7629465-B2 Industrial process for preparation of Clopidogrel hydrogen sulphate IPCA LABORATORIES LTD. (IN) 2009-12-08 US claimed
US-20080097101-A1 Industrial process for preparation of clopidogrel hydrogen sulphate IPCA LABORATORIES LIMITED (IN) 2008-04-24 US claimed
CN-118993858-A Preparation method of 2-ethyl-1, 3-cyclopentanedione 山东丰源生物医药科技有限公司 2024-11-22 CN disclosed
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
CN-113150918-A Hawthorn wine with high content of diethyl erythronate and preparation method thereof 河北农业大学 2021-07-23 CN disclosed
CN-113150918-A Hawthorn wine with high content of diethyl erythronate and preparation method thereof 河北农业大学 2021-07-23 CN disclosed
CN-107876092-A The high stability titanium catalyst of ester exchange carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2018-04-06 CN disclosed
CN-107417719-A A kind of titanium chelate catalyst for being used for carbonate synthesis benzene methyl and diphenyl carbonate 华东理工大学 2017-12-01 CN disclosed
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2011-04-07 US disclosed
WO-2009146202-A2 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-12-03 WO disclosed
US-20070197646-A1 SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS ACHILLION PHARMACEUTICALS, INC. (US) 2007-08-23 US disclosed
US-20060147737-A1 Reactive colorant compounds and polymeric materials copolymerized therewith EASTMAN CHEMICAL COMPANY 2006-07-06 US disclosed
US-6344471-B1 DIISOPROPYL FLUOROPHOSPHATE (DFP), TREATMENT OF COGNITIVE DISORDERS, DEPRESSION, SCHIZOPHRENIA AND ANXIETY. BAYER AKTIENGESELLSCHAFT (DE) 2002-02-05 US disclosed
US-4640913-A Phosphocholine derivatives having antihypertensive action AMERICAN CYANAMID COMPANY (US) 1987-02-03 US disclosed
US-4595521-A In liquid crystalline carrier HOFFMANN-LA ROCHE INC. (US) 1986-06-17 US disclosed
US-3931322-A FROM GAMMA-KETOESTERS AND AN ALKALI METAL ALKOXIDE HOFFMANN-LA ROCHE INC. (US) 1976-01-06 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-20080097101-A1 Industrial process for preparation of clopidogrel hydrogen sulphate PRKD2, PRKCD, HSD3B1 GAA 4075/4885MGAM 1183/4885SI 1462/4885
US-20070197646-A1 SUBSTITUTED TARAXASTANES USEFUL FOR TREATING VIRAL INFECTIONS TARBP1, TSNAX, TARDBP GAA 46/4885MGAM 840/4885SI 1376/4885
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 GAA 891/4885MGAM 365/4885SI 1075/4885

“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.