SCHEMBL6000493

SCHEMBL6000493

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

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.47
PTPN1 P18031 1/20 0.47
NR4A2 P43354 1/20 0.45
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
HSD17B2 P37059 2/20 0.41
FFAR1 O14842 1/20 0.39
PPARG P37231 1/20 0.38
PPARA Q07869 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
MAOB P27338 2/20 0.38
CYP3A4 P08684 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL6000837 0.92 PTPN1 (0.46) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL5999740 0.87 PTPN2 (0.47) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL6000677 0.86 NR4A2 (0.46) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL6000761 0.84 PTPN2 (0.65) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL6001018 0.82 PTPN2 (0.45) PTPN2PTPN1NR4A2HSD17B2TP53
SCHEMBL6000487 0.80 PTPN1 (0.47) PTPN2PTPN1RXRARXRBFFAR1
SCHEMBL6000228 0.79 PTPN1 (0.49) PTPN2PTPN1NR4A2RXRARXRB
SCHEMBL6000625 0.77 PTPN2 (0.54) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL6001020 0.76 PTPN2 (0.43) PTPN2PTPN1NR4A2HSD17B2FFAR1
SCHEMBL5998999 0.76 PTPN1 (0.49) PTPN2PTPN1NR4A2FFAR1MAOB

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 PTPN2 11/4885PTPN1 2/4885NR4A2 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.