SCHEMBL7877907

SCHEMBL7877907

c1ccc2c(OCOc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.47
HTR2A P28223 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 4/20 0.42
HSD17B10 Q99714 4/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
CYP1A2 P05177 4/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GLA P06280 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP3A4 P08684 1/20 0.39
ERBB2 P04626 1/20 0.39
FYN P06241 1/20 0.39
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL7877916 0.86 GPR84 (0.47) GPR84HTR2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL12627461 0.82 GPR84 (0.39) GPR84HTR2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL29694174 0.82 GPR84 (0.44) GPR84HTR2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL9333878 0.82 GPR84 (0.44) GPR84HTR2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL644629 0.82 GPR84 (0.44) GPR84HTR2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL10695998 0.79 HTR1B (0.56) GPR84HTR2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL7966951 0.79 TLR8 (0.44) GPR84HTR2AL3MBTL1CYP1A2MEN1
SCHEMBL10692520 0.79 L3MBTL1 (0.50) GPR84HTR2AL3MBTL1ALDH1A1HSD17B10
SCHEMBL10691171 0.79 HTR1B (0.59) GPR84HTR2AL3MBTL1KDM4EMAOA
SCHEMBL29371827 0.79 TLR8 (0.44) GPR84HTR2AL3MBTL1CYP1A2MEN1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-10-18 US claimed
EP-0979078-A4 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2000-06-21 EP claimed
EP-0979078-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP claimed
WO-1998030218-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO claimed
US-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-10-18 US disclosed
US-6242459-B1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents SMITHKLINE BEECHAM CORPORATION 2001-06-05 US disclosed
EP-0979078-A4 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORP (US) 2000-06-21 EP disclosed
EP-0979078-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-16 EP disclosed
WO-1998030218-A1 SUBSTITUTED BIS-ACRIDINES AND RELATED COMPOUNDS AS CCR5 RECEPTOR LIGANDS, ANTI-INFLAMMATORY AGENTS AND ANTI-VIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 1998-07-16 WO 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-20010031763-A1 Substituted bis-acridines and related compounds as CCR5 receptor ligands, anti-inflammatory agents and anti-viral agents CCR5, CCR2, CCR1 GPR84 35/4885HTR2A 528/4885L3MBTL1 2266/4885

“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.