SCHEMBL6882142

SCHEMBL6882142

CCCCOC(=O)CCSC(=O)OCOC(=O)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.40
DGKA P23743 1/20 0.39
HTR2C P28335 1/20 0.36
NAAA Q02083 1/20 0.36
ALDH1A1 P00352 2/20 0.35
DNM1 Q05193 1/20 0.34
ATM Q13315 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
EPHX2 P34913 1/20 0.33
MAPK1 P28482 2/20 0.33
MAPT P10636 1/20 0.32
RECQL P46063 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
SCHEMBL9509262 0.83 ACHE (0.54) ACHEDGKAHTR2CNAAAALDH1A1
SCHEMBL18113192 0.81 ACHE (0.47) ACHEDGKAHTR2CNAAAALDH1A1
SCHEMBL18655571 0.80 TDP1 (0.38) ACHEALDH1A1
SCHEMBL6882634 0.77 LMNA (0.36) ACHE
SCHEMBL5539605 0.77 DGKA (0.48) DGKAALDH1A1DNM1ATMMAPT
SCHEMBL6885537 0.76 ACHE (0.37) ACHEDGKAHTR2CNAAA
SCHEMBL17564705 0.74 ALDH1A1 (0.50) ACHEDGKAHTR2CNAAAALDH1A1
SCHEMBL25635496 0.74 DGKA (0.60) DGKAALDH1A1DNM1MAPT
SCHEMBL1507155 0.73 PRKCA (0.35) ALDH1A1
An-9 SCHEMBL356482 0.73 ALDH1A1 (0.46) DGKAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040254182-A1 Enhanced propertied pharmaceuticals ROHM AND HAAS COMPANY 2004-12-16 US disclosed
EP-1272463-A1 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2003-01-08 EP disclosed
WO-2002072559-A1 PROCESS TO INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS ROHM AND HAAS COMPANY (US) 2002-09-19 WO disclosed
US-20010039343-A1 Process to intermediates for biologically active compounds MULVIHILL MARK JOSEPH (US) 2001-11-08 US disclosed
WO-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed
WO-2001054481-A2 ENHANCED PROPERTIED PHARMACEUTICALS ROHM AND HAAS COMPANY (US) 2001-08-02 WO 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 (2 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-20040254182-A1 Enhanced propertied pharmaceuticals ABCB1, ABCB11, ABCG2 ACHE 2288/4885DGKA 4588/4885HTR2C 3806/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 ACHE 48/4885DGKA 1249/4885HTR2C 3692/4885

“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.