SCHEMBL6000405

SCHEMBL6000405

CCCC(CCC)c1ccc(OCc2cccc(-c3csc(CN4CCc5ccc(C(=O)O)cc5C4)c3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 7/20 0.45
MRGPRX4 Q96LA9 4/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
PAX8 Q06710 1/20 0.39
KLF5 Q13887 1/20 0.39
REV1 Q9UBZ9 1/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL6000482 0.80 PTPN2 (0.53) FFAR1L3MBTL1NPC1RAB9AREV1
SCHEMBL6000024 0.73 RXRA (0.52) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL5999834 0.69 RXRA (0.42) FFAR1MRGPRX4NPC1POLBRAB9A
SCHEMBL6000917 0.69 RXRA (0.46) FFAR1NPC1POLBRAB9ASMN1; SMN2
SCHEMBL6000207 0.67 PTPN1 (0.44) FFAR1MRGPRX4NPC1POLBRAB9A
SCHEMBL6000662 0.67 AGTR1 (0.40) POLBLTA4H
SCHEMBL6000084 0.66 PTPN1 (0.44) FFAR1MRGPRX4NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL6000749 0.66 PTPN1 (0.44) FFAR1MRGPRX4NPC1POLBRAB9A
SCHEMBL5999945 0.66 CA12 (0.39) OPRM1OPRD1OPRK1POLBSMN1; SMN2
SCHEMBL6000164 0.66 PTPN2 (0.47) FFAR1

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 FFAR1 274/4885MRGPRX4 1577/4885L3MBTL1 2811/4885

“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.