SCHEMBL7877797

SCHEMBL7877797

c1ccc2c(CCCCCCc3c4ccccc4cc4ccccc34)c3ccccc3cc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
HSD17B10 Q99714 5/20 0.42
ALDH1A1 P00352 5/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
MAPT P10636 1/20 0.42
CYP1A2 P05177 5/20 0.41
CYP2A6 P11509 2/20 0.41
HPGD P15428 3/20 0.41
CYP2C19 P33261 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.39
GPR35 Q9HC97 1/20 0.39
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
SCHEMBL7874386 1.00 HTR2A (0.58) HTR2AL3MBTL1HSD17B10ALDH1A1HIF1A
SCHEMBL7875750 0.98 HTR2A (0.60) HTR2AL3MBTL1HSD17B10ALDH1A1HIF1A
SCHEMBL7877776 0.93 HTR2A (0.60) HTR2AL3MBTL1HSD17B10ALDH1A1HIF1A
SCHEMBL16267023 0.90 MAPT (0.55) HTR2AL3MBTL1HSD17B10ALDH1A1MAPT
SCHEMBL16267503 0.90 MAPT (0.55) HTR2AL3MBTL1HSD17B10ALDH1A1MAPT
SCHEMBL5116260 0.90 MAPT (0.55) HTR2AL3MBTL1HSD17B10ALDH1A1MAPT
SCHEMBL10358862 0.90 HTR2A (0.48) HTR2AL3MBTL1HSD17B10ALDH1A1HIF1A
SCHEMBL1610101 0.90 HTR2A (0.48) HTR2AL3MBTL1HSD17B10ALDH1A1HIF1A
SCHEMBL1610938 0.90 HTR2A (0.48) HTR2AL3MBTL1HSD17B10ALDH1A1HIF1A
SCHEMBL31205757 0.90 HTR2A (0.48) HTR2AL3MBTL1HSD17B10ALDH1A1HIF1A

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-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-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 (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 HTR2A 528/4885L3MBTL1 2266/4885HSD17B10 3327/4885

“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.