SCHEMBL761496

SCHEMBL761496

C=CCOC(=O)C#CC(=O)OCC=C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
TSHR P16473 6/20 0.41
MAPT P10636 1/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
ALDH1A1 P00352 6/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SNCA P37840 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
APP P05067 1/20 0.33
GAA P10253 1/20 0.32
RHOA P61586 1/20 0.32
TP53 P04637 3/20 0.31
HIF1A Q16665 2/20 0.31
PTP4A3 O75365 1/20 0.30

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
SCHEMBL761495 0.91 CYP3A4 (0.38) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9811267 0.89 TSHR (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9865407 0.89 TSHR (0.39) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL2843185 0.86
SCHEMBL9865572 0.84 CYP3A4 (0.37) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL13861279 0.83 TSHR (0.42) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL9413861 0.82
SCHEMBL9543820 0.82
SCHEMBL63337 0.81 CYP3A4 (0.35) CYP3A4TSHRMAPTCACNA1BAPBA1
SCHEMBL1288180 0.80

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240429448-A1 Silicon-Based Energy Storage Devices With Carboxylic Ether, Carboxylic Acid Based Salt, or Acrylate Electrolyte Containing Electrolyte Additives ENEVATE CORP (US) 2024-12-26 US claimed
US-20210218059-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2021-07-15 US claimed
US-20190190070-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2019-06-20 US claimed
WO-2019113528-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION (US) 2019-06-13 WO claimed
US-20240429448-A1 Silicon-Based Energy Storage Devices With Carboxylic Ether, Carboxylic Acid Based Salt, or Acrylate Electrolyte Containing Electrolyte Additives ENEVATE CORP (US) 2024-12-26 US disclosed
US-12015122-B2 Silicon-based energy storage devices with carboxylic ether, carboxylic acid based salt, or acrylate electrolyte containing electrolyte additives ENEVATE CORPORATION (US) 2024-06-18 US disclosed
US-20210218059-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2021-07-15 US disclosed
US-20210218059-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2021-07-15 US disclosed
US-10978739-B2 Silicon-based energy storage devices with carboxylic ether, carboxylic acid based salt, or acrylate electrolyte containing electrolyte additives ENEVATE CORPORATION (US) 2021-04-13 US disclosed
US-20190190070-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION 2019-06-20 US disclosed
WO-2019113528-A1 SILICON-BASED ENERGY STORAGE DEVICES WITH CARBOXYLIC ETHER, CARBOXYLIC ACID BASED SALT, OR ACRYLATE ELECTROLYTE CONTAINING ELECTROLYTE ADDITIVES ENEVATE CORPORATION (US) 2019-06-13 WO disclosed
US-20160311810-A1 SYNTHESIS OF RALTEGRAVIR EMCURE PHARMACEUTICALS LTD (IN) 2016-10-27 US disclosed
EP-0203722-A1 Bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-12-03 EP disclosed
EP-0202795-A1 4-Substituted diazolidinones ELI LILLY AND COMPANY (US) 1986-11-26 EP disclosed
EP-0202047-A1 Pyrazolidinium ylides ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
EP-0202046-A1 7-Substituted bicyclic pyrazolidinones ELI LILLY AND COMPANY (US) 1986-11-20 EP disclosed
US-4558069-A TREATMENT OF SKIN DISORDERS GROUPEMENT D'INTERET ECONOMIQUE DIT: CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1985-12-10 US disclosed
EP-0138523-A1 Penicillin derivatives and process for preparing the same (11111) TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1985-04-24 EP disclosed
US-4464301-A FOR TREATMENT OF PSORIASIS GROUPEMENT D'INTERET ECONOMIQUE CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES C.I.R.D. (FR) 1984-08-07 US disclosed
US-4207318-A ANTIALLERGIC ACTIVITY, BRONCHODILATOR ROUSSEL UCLAF (FR) 1980-06-10 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-20160311810-A1 SYNTHESIS OF RALTEGRAVIR CYP3A4, CYP3A5, IMPDH1 CYP3A4 1/4885TSHR 4781/4885MAPT 3938/4885

“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.