SCHEMBL4864369

SCHEMBL4864369

COCC(CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.48
STING1 Q86WV6 1/20 0.42
CPA1 P15085 2/20 0.41
CPB1 P15086 1/20 0.41
CPA3 P15088 1/20 0.41
CPB2 Q96IY4 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CHRM1 P11229 1/20 0.37
AKR1A1 P14550 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
DRD3 P35462 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC2 Q92769 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL2036581 0.85 CHRM1 (0.43) STING1TDP1CHRM1AKR1A1CHRM3
SCHEMBL13995182 0.84 LMNA (0.37) FOLH1TDP1SMN1; SMN2ALDH1A1SLC22A6
SCHEMBL9668271 0.82 STING1 (0.40) FOLH1STING1CPA1TDP1CHRM1
SCHEMBL67494 0.82 FOLH1 (0.56) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL10988160 0.80 FOLH1 (0.43) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL8147756 0.80 FOLH1 (0.52) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL16468366 0.79 FOLH1 (0.52) FOLH1CPA1CPB1CPA3CPB2
SCHEMBL15016034 0.78
SCHEMBL6468088 0.78
SCHEMBL139440 0.78

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2008528252-A 2008-07-31 JP claimed
EP-1838438-A1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME Total France (FR) 2007-10-03 EP claimed
WO-2006077326-A1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME TOTAL FRANCE (FR) 2006-07-27 WO claimed
US-9260459-B2 4,6-hexadecadiene-2,4-dicarboxylic acid derivative KYOWA HAKKO KIRIN CO., LTD. (JP) 2016-02-16 US disclosed
US-20150183809-A1 4,6-HEXADECADIENE-2,4-DICARBOXYLIC ACID DERIVATIVE KYOWA KIRIN CO., LTD. (JP) 2015-07-02 US disclosed
EP-1838438-B1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME TOTAL RAFFINAGE FRANCE (FR) 2014-12-10 EP disclosed
EP-1838438-A1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME Total France (FR) 2007-10-03 EP disclosed
WO-2006077326-A1 HYDROPROCESSING CATALYST, PREPARATION METHOD THEREOF AND USE OF SAME TOTAL FRANCE (FR) 2006-07-27 WO disclosed
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-4460782-A FUNGICIDES CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH (DE) 1984-07-17 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-20150183809-A1 4,6-HEXADECADIENE-2,4-DICARBOXYLIC ACID DERIVATIVE NR5A2, NR4A3, NR4A2 FOLH1 2026/4885STING1 4234/4885CPA1 4042/4885

“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.