SCHEMBL6000228

SCHEMBL6000228

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(CN(CC(=O)O)CC(=O)Nc4ccc(C(C)C)cc4)s3)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.49
PTPN2 P17706 1/20 0.49
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
RAB9A P51151 4/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
FFAR1 O14842 1/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NR4A2 P43354 1/20 0.36
LTA4H P09960 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
SCHEMBL5999197 0.94 PTPN2 (0.51) PTPN1PTPN2FNTAFNTBRAB9A
SCHEMBL6000943 0.88 PTPN1 (0.49) PTPN1PTPN2FNTAFNTBRXRA
SCHEMBL6000625 0.84 PTPN2 (0.54) PTPN1PTPN2FFAR1NR4A2
SCHEMBL6000855 0.82 PTPN1 (0.52) PTPN1PTPN2FFAR1MAOBNR4A2
SCHEMBL6000712 0.82 PTPN1 (0.50) PTPN1PTPN2FNTAFNTBRAB9A
SCHEMBL6000708 0.81 PTPN2 (0.51) PTPN1PTPN2RAB9ASMN1; SMN2NR4A2
SCHEMBL6000800 0.81 PTPN1 (0.55) PTPN1PTPN2FFAR1MAOBNR4A2
SCHEMBL6000866 0.80 PTPN1 (0.52) PTPN1PTPN2FFAR1MAOBNR4A2
SCHEMBL5998999 0.80 PTPN1 (0.49) PTPN1PTPN2FFAR1MAOBNR4A2
SCHEMBL6000204 0.80 PTPN1 (0.49) PTPN1PTPN2FFAR1LMNAPOLB

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 3 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

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 11/4885FNTA 3112/4885

“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.