SCHEMBL6000615

SCHEMBL6000615

CCCC(CCC)c1ccc(OCc2ccc(-c3ccc(COc4cncc(C(=O)O)c4)s3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
NR4A2 P43354 3/20 0.41
RXRA P19793 3/20 0.41
RXRB P28702 3/20 0.41
FFAR1 O14842 2/20 0.40
MRGPRX4 Q96LA9 3/20 0.39
SIRT2 Q8IXJ6 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
HTT P42858 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 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
SCHEMBL6001052 0.87 PTPN1 (0.41) PTPN2PTPN1RXRARXRBFFAR1
SCHEMBL6000207 0.86 PTPN1 (0.44) PTPN2PTPN1NR4A2RXRARXRB
SCHEMBL6000084 0.85 PTPN1 (0.44) PTPN2PTPN1NR4A2RXRARXRB
Hydrochloric Acid SCHEMBL6000749 0.85 PTPN1 (0.44) PTPN2PTPN1NR4A2RXRARXRB
SCHEMBL5999036 0.84 PTPN2 (0.46) PTPN2PTPN1NPC1POLBRAB9A
Sulfuric Acid SCHEMBL5999979 0.83 PTPN1 (0.42) PTPN2PTPN1RXRARXRBFFAR1
SCHEMBL6000994 0.82 PTPN1 (0.42) PTPN2PTPN1RXRARXRBFFAR1
SCHEMBL6001047 0.81 PTPN2 (0.57) PTPN2PTPN1RXRARXRBFFAR1
SCHEMBL6000513 0.81 PTPN2 (0.57) PTPN2PTPN1RXRARXRBFFAR1
SCHEMBL6000723 0.81 PTPN2 (0.48) PTPN2PTPN1NR4A2RXRARXRB

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.