SCHEMBL6000837

SCHEMBL6000837

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(C(=O)N(CC(=O)O)Cc4ccc(N(C)C)cc4)s3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.46
PTPN2 P17706 1/20 0.46
NR4A2 P43354 1/20 0.43
HSD17B2 P37059 5/20 0.42
FFAR1 O14842 1/20 0.38
PTGES O14684 1/20 0.37
ALOX5 P09917 1/20 0.37
HSD17B1 P14061 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
NOX1 Q9Y5S8 1/20 0.36
MAOB P27338 1/20 0.36
TSPO P30536 1/20 0.35

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
SCHEMBL6000493 0.92 PTPN2 (0.47) PTPN1PTPN2NR4A2HSD17B2FFAR1
SCHEMBL5999740 0.86 PTPN2 (0.47) PTPN1PTPN2NR4A2HSD17B2FFAR1
SCHEMBL6000677 0.85 NR4A2 (0.46) PTPN1PTPN2NR4A2HSD17B2FFAR1
SCHEMBL6000761 0.83 PTPN2 (0.65) PTPN1PTPN2NR4A2HSD17B2FFAR1
SCHEMBL6001018 0.81 PTPN2 (0.45) PTPN1PTPN2NR4A2HSD17B2ALOX5
SCHEMBL6000625 0.76 PTPN2 (0.54) PTPN1PTPN2NR4A2HSD17B2FFAR1
SCHEMBL6000204 0.75 PTPN1 (0.49) PTPN1PTPN2NR4A2FFAR1MAPT
SCHEMBL5998999 0.75 PTPN1 (0.49) PTPN1PTPN2NR4A2FFAR1ALOX5
SCHEMBL6000855 0.74 PTPN1 (0.52) PTPN1PTPN2NR4A2FFAR1MAOB
SCHEMBL6001020 0.73 PTPN2 (0.43) PTPN1PTPN2NR4A2HSD17B2FFAR1

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 11/4885NR4A2 504/4885

“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.