SCHEMBL7877916

SCHEMBL7877916

c1ccc2c(OCCOc3c4ccccc4cc4ccccc34)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
HTR1B P28222 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HSD17B10 Q99714 3/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
HPGD P15428 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

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
SCHEMBL23271878 0.90 GPR84 (0.44) GPR84HTR2AL3MBTL1HTR1BMEN1
SCHEMBL30003180 0.90 KCNA3 (0.51) L3MBTL1HTR1BALDH1A1KDM4ETDP1
SCHEMBL23271651 0.90 KCNA3 (0.51) L3MBTL1HTR1BALDH1A1KDM4ETDP1
SCHEMBL10692520 0.87 L3MBTL1 (0.50) GPR84HTR2AL3MBTL1HTR1BALDH1A1
SCHEMBL29371827 0.87 TLR8 (0.44) GPR84HTR2AL3MBTL1HTR1BTDP1
SCHEMBL5115767 0.87 ALDH1A1 (0.47) GPR84HTR2AL3MBTL1HTR1BALDH1A1
SCHEMBL7966951 0.87 TLR8 (0.44) GPR84HTR2AL3MBTL1HTR1BTDP1
SCHEMBL10695998 0.87 HTR1B (0.56) GPR84HTR2AL3MBTL1HTR1BALDH1A1
SCHEMBL10691171 0.87 HTR1B (0.59) GPR84HTR2AL3MBTL1HTR1BKDM4E
SCHEMBL10694110 0.87 L3MBTL1 (0.50) GPR84HTR2AL3MBTL1HTR1BALDH1A1

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 5 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
US-20130096097-A1 PHARMACEUTICAL MULTIMERIC PARTICLES, AND MANUFACTURING METHOD FOR SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-04-18 US disclosed
US-20130096097-A1 PHARMACEUTICAL MULTIMERIC PARTICLES, AND MANUFACTURING METHOD FOR SAME JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-04-18 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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
US-20130096097-A1 PHARMACEUTICAL MULTIMERIC PARTICLES, AND MANUFACTURING METHOD FOR SAME SAMM50, MRPS27, COG7 GPR84 3760/4885HTR2A 3922/4885L3MBTL1 4788/4885

“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.