SCHEMBL6000866

SCHEMBL6000866

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)Cc4cc5ccccc5s4)s3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
PTPN2 P17706 1/20 0.52
PPARG P37231 3/20 0.40
PPARA Q07869 3/20 0.40
NR4A2 P43354 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALOX5 P09917 3/20 0.37
MAOB P27338 2/20 0.37
PTGES O14684 1/20 0.37
PSEN1 P49768 1/20 0.37
FFAR1 O14842 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GYS1 P13807 1/20 0.36

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
SCHEMBL6000800 0.87 PTPN1 (0.55) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL6000625 0.85 PTPN2 (0.54) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL6000708 0.85 PTPN2 (0.51) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL5999197 0.85 PTPN2 (0.51) PTPN1PTPN2NR4A2FFAR1
SCHEMBL5999082 0.84 PTPN2 (0.54) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL6000855 0.83 PTPN1 (0.52) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL5998999 0.83 PTPN1 (0.49) PTPN1PTPN2NR4A2ALOX5MAOB
SCHEMBL6000742 0.83 PTPN2 (0.51) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL6000614 0.83 PTPN1 (0.51) PTPN1PTPN2PPARGPPARANR4A2
SCHEMBL5999254 0.82 PTPN2 (0.52) PTPN1PTPN2PPARGPPARANR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US claimed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP claimed
US-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2006-06-08 US disclosed
EP-1553091-A1 HETEROAROMATIC PENTACYCLIC COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2005-07-13 EP 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-20060122181-A1 Heteroaromatic pentacyclic compound and medicinal use thereof PTPN11, PTPN1, PTPN3 PTPN1 2/4885PTPN2 11/4885PPARG 435/4885

“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.