SCHEMBL6865751

SCHEMBL6865751

CCCCCS(=O)(=O)CCCC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.61
FAAH O00519 5/20 0.55
CES1 P23141 5/20 0.48
CES2 O00748 2/20 0.48
NPC1 O15118 1/20 0.46
S1PR2 O95136 1/20 0.46
S1PR4 O95977 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
XBP1 P17861 1/20 0.46
S1PR1 P21453 1/20 0.46
MAPK1 P28482 1/20 0.46
AGTR1 P30556 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9423619 0.97 CA2 (0.65) CA2FAAHCES1CES2
SCHEMBL8778698 0.97 CA2 (0.65) CA2FAAHCES1CES2
SCHEMBL8778743 0.97 CA2 (0.65) CA2FAAHCES1CES2
SCHEMBL8778867 0.97 CA2 (0.65) CA2FAAHCES1CES2
SCHEMBL8778804 0.97 CA2 (0.65) CA2FAAHCES1CES2
SCHEMBL9941 0.97 CA2 (0.64) CA2FAAHCES1CES2ESR1
Fluoride SCHEMBL25435314 0.94 CA2 (0.61) CA2FAAHCES1CES2ESR1
SCHEMBL350042 0.94 CA2 (0.68) CA2FAAHCES1CES2
SCHEMBL395321 0.94 CA2 (0.68) CA2FAAHCES1CES2
SCHEMBL5586100 0.94 CA2 (0.68) CA2FAAHCES1CES2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US claimed
CN-106165043-B Electrochemical device electrolyte solvent 住友精化株式会社 2019-03-26 CN disclosed
EP-3133623-B1 SOLVENT FOR ELECTROLYTIC SOLUTION FOR USE IN ELECTROCHEMICAL DEVICES SUMITOMO SEIKA CHEMICALS (JP) 2018-11-21 EP disclosed
US-20170098859-A1 SOLVENT FOR ELECTROLYTIC SOLUTION FOR USE IN ELECTROCHEMICAL DEVICES SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2017-04-06 US disclosed
EP-3133623-A1 SOLVENT FOR ELECTROLYTIC SOLUTION FOR USE IN ELECTROCHEMICAL DEVICES Sumitomo Seika Chemicals Co., Ltd. (JP) 2017-02-22 EP disclosed
US-6809206-B2 CONTACTING A PHENYL ESTER COMPOUND WITH A CYCLIC COMPOUND IN THE PRESENCE OF A SOURCE OF CYANIDE OR FLUORIDE TO PREPARE ACYLATED CYCLIC 1,3-DICARBONYL COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2004-10-26 US disclosed
US-20030232984-A1 Method for acylating cyclic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-18 US disclosed
EP-0602914-B1 Ink compositions for ink jet printing XEROX CORP (US) 1997-11-12 EP disclosed
EP-0449296-B1 Palladium catalyzed carboalkoxylation of butadiene DU PONT (US) 1994-09-14 EP disclosed
EP-0602914-A1 Ink compositions for ink jet printing XEROX CORPORATION (US) 1994-06-22 EP disclosed
US-5300143-A Water soluble dye, sulfone, and amide or cyclic amine XEROX CORPORATION (US) 1994-04-05 US disclosed
US-5160414-A A thiophene, 1,1-dioxide as solvent PHILLIPS PETROLEUM COMPANY (US) 1992-11-03 US disclosed
EP-0449296-A1 Palladium catalyzed carboalkoxylation of butadiene E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-10-02 EP disclosed
US-5026901-A Producing alkyl pentenoate E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-06-25 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-20030232984-A1 Method for acylating cyclic compounds LCAT, ACOT7, AGPAT5 CA2 227/4885FAAH 142/4885CES1 589/4885

“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.