SCHEMBL6889265

SCHEMBL6889265

CCOC(=O)CCSC(=O)OCOC(=O)COc1ccc(Cl)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.56
ALDH1A1 P00352 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
MAPK1 P28482 3/20 0.49
TSHR P16473 3/20 0.49
MAPT P10636 5/20 0.48
HPGD P15428 2/20 0.48
LMNA P02545 1/20 0.47
KDM4E B2RXH2 1/20 0.47
PKM P14618 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL6887603 0.90 MAPT (0.58) TDP1ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL7713695 0.87 TDP1 (0.64) TDP1ALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL29369910 0.84 TDP1 (0.74) TDP1ALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL1694924 0.84 TDP1 (0.74) TDP1ALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL6882413 0.84 SMN1; SMN2 (0.48) TDP1ALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL27374559 0.80 TDP1 (0.71) TDP1ALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL7713706 0.79 MAPT (0.64) TDP1ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL28252189 0.77 MAPT (0.63) TDP1ALDH1A1L3MBTL1TSHRMAPT
SCHEMBL11269737 0.76 TDP1 (0.62) TDP1ALDH1A1L3MBTL1MAPK1TSHR
SCHEMBL1090743 0.76 MAPT (0.74) TDP1ALDH1A1L3MBTL1TSHRMAPT

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 TDP1 4438/4885ALDH1A1 118/4885L3MBTL1 4527/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 TDP1 1254/4885ALDH1A1 164/4885L3MBTL1 2677/4885

“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.