SCHEMBL6887048

SCHEMBL6887048

CCC(=O)OCOC(=O)SCCC(=O)OC(C)C

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
ACHE P22303 1/20 0.33
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.30
NAAA Q02083 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
SCHEMBL6889282 0.87 LMNA (0.39) LMNAACHEMAPTTSHR
SCHEMBL6882634 0.83 LMNA (0.36) LMNAACHE
SCHEMBL6882069 0.81 CYP1A2 (0.40) LMNAMAPTTSHR
SCHEMBL6880435 0.81 LMNA (0.34) LMNA
SCHEMBL6880390 0.80 LMNA (0.33) LMNA
SCHEMBL6886661 0.74 CYP1A2 (0.37) LMNAACHEMAPTTSHR
SCHEMBL18655543 0.74 CYP1A2 (0.34) LMNAACHEMAPTTSHRNAAA
SCHEMBL23983078 0.73 LMNA (0.52) LMNAMAPTTSHRNAAA
SCHEMBL1507260 0.73 NAAA (0.39) ACHETSHRNAAA
SCHEMBL16908245 0.71 LMNA (0.39) LMNATSHRNAAA

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 7 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
WO-2001055082-A2 INTERMEDIATES FOR BIOLOGICALLY ACTIVE COMPOUNDS 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 LMNA 1992/4885ACHE 2288/4885MAPT 2094/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 LMNA 3227/4885ACHE 48/4885MAPT 3326/4885

“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.