SCHEMBL6887486

SCHEMBL6887486

CCOC(=O)CCSC(=O)OCOC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KMT2A Q03164 1/20 0.39
CYP3A4 P08684 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
NLRP3 Q96P20 1/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ALDH1A1 P00352 4/20 0.37
KDM4E B2RXH2 3/20 0.36
GLA P06280 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
POLB P06746 2/20 0.33
TSHR P16473 2/20 0.33
ALOX5 P09917 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7875629 0.83 CYP3A4 (0.41) KMT2ACYP3A4SMN1; SMN2TDP1HPGD
SCHEMBL27574130 0.77 CYP3A4 (0.46) MAPTKMT2ACYP3A4SMN1; SMN2TDP1
SCHEMBL6882069 0.77 CYP1A2 (0.40) MAPTKMT2ATDP1HPGDL3MBTL1
SCHEMBL6882165 0.76 ALDH1A1 (0.50) MAPTKMT2ASMN1; SMN2TDP1HPGD
SCHEMBL571273 0.74 CYP3A4 (0.61) MAPTCYP3A4SMN1; SMN2TDP1NLRP3
SCHEMBL20836682 0.74 CYP1A2 (0.47) MAPTKMT2ATDP1HPGDL3MBTL1
SCHEMBL23817422 0.74 SMN1; SMN2 (0.49) MAPTKMT2ACYP3A4SMN1; SMN2TDP1
SCHEMBL6886661 0.73 CYP1A2 (0.37) MAPTKMT2ATDP1HPGDL3MBTL1
SCHEMBL6886504 0.73 TSHR (0.43) MAPTKMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6885640 0.72 CYP1A2 (0.36) MAPTKMT2ATDP1HPGDL3MBTL1

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 MAPT 2094/4885KMT2A 2133/4885CYP3A4 81/4885
US-20010039343-A1 Process to intermediates for biologically active compounds DDT, CYP4X1, CYP1B1 MAPT 3326/4885KMT2A 3410/4885CYP3A4 6/4885

“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.