SCHEMBL8566047

SCHEMBL8566047

CCCOc1cnc2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 4/20 0.54
GPBAR1 Q8TDU6 3/20 0.51
CYSLTR1 Q9Y271 2/20 0.51
CYP1A2 P05177 2/20 0.50
PDGFRB P09619 1/20 0.49
PDGFRA P16234 1/20 0.49
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KMT2A Q03164 3/20 0.47
GAA P10253 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
MEN1 O00255 1/20 0.47
CYP2C19 P33261 1/20 0.46

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
SCHEMBL16836341 0.92 RAB9A (0.57) TLR8GPBAR1CYSLTR1CYP1A2PDGFRB
SCHEMBL16836548 0.90 TLR8 (0.56) TLR8GPBAR1CYSLTR1CYP1A2PDGFRB
SCHEMBL16836373 0.89 TLR8 (0.57) TLR8GPBAR1CYSLTR1CYP1A2PDGFRB
SCHEMBL13302131 0.86 RAB9A (0.55) TLR8CYP1A2PDGFRBPDGFRAKDM4E
SCHEMBL8560716 0.85 TSHR (0.49) CYP1A2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL23412249 0.84 KDM4E (0.59) CYP1A2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL23413027 0.84 KDM4E (0.59) CYP1A2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL13533394 0.83 TLR8 (0.58) TLR8CYP1A2PDGFRBPDGFRAKDM4E
SCHEMBL30898597 0.83 RAB9A (0.50) CYP1A2PDGFRBPDGFRAKDM4EALDH1A1
SCHEMBL29935791 0.83 PDGFRB (0.49) CYP1A2PDGFRBPDGFRAKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10654807-B2 Toll-like receptor 8 agonists THE UNIVERSITY OF KANSAS (US) 2020-05-19 US disclosed
US-20160347715-A1 Toll-Like Receptor 8 Agonists THE UNIVERSITY OF KANSAS 2016-12-01 US disclosed
WO-2015095780-A1 TOLL-LIKE RECEPTOR 8 AGONISTS THE UNIVERSITY OF KANSAS (US) 2015-06-25 WO disclosed
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS BRAINCELLS, INC. (US) 2010-01-14 US disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 US disclosed
CN-1169986-A 2.9-diamino-and 2-amino-8-carbamoyl-4-hydroxy-aldanoic acid amide derivatives CIBA GEIGY AG (CH) 1998-01-14 CN disclosed
EP-0702004-A2 2,9-diamino- and 2-amino-8-carbamoyl-4-hydroxy-alkanoic acid amid derivatives CIBA-GEIGY AG (CH) 1996-03-20 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 (3 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-10654807-B2 Toll-like receptor 8 agonists TLR8, TLR7, TLR1 TLR8 1/4885GPBAR1 111/4885CYSLTR1 169/4885
US-20100009983-A1 5 HT RECEPTOR MEDIATED NEUROGENESIS HTR6, GAP43, HTR5A TLR8 492/4885GPBAR1 324/4885CYSLTR1 177/4885
US-20160347715-A1 Toll-Like Receptor 8 Agonists TLR8, TLR7, TLR1 TLR8 1/4885GPBAR1 111/4885CYSLTR1 169/4885

“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.