SCHEMBL570984

SCHEMBL570984

CCCCc1nc2ccccc2cc1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.54
ALDH1A1 P00352 5/20 0.51
HPGD P15428 3/20 0.51
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.51
STAT3 P40763 1/20 0.51
PDE10A Q9Y233 1/20 0.41
GLA P06280 3/20 0.41
MAPT P10636 2/20 0.41
ACHE P22303 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
USP2 O75604 1/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL2054396 0.95 TLR8 (0.55) TLR8ALDH1A1HPGDKDM4EGAA
SCHEMBL133672 0.94 TLR8 (0.54) TLR8ALDH1A1HPGDKDM4EGAA
SCHEMBL17179261 0.82 ALDH1A1 (0.58) TLR8ALDH1A1HPGDKDM4EGAA
SCHEMBL28162401 0.81 TLR8 (0.69) TLR8ALDH1A1HPGDPDE10AGLA
SCHEMBL27524779 0.80 TLR8 (0.62) TLR8ALDH1A1HPGDKDM4EGAA
SCHEMBL28146814 0.80 TLR8 (0.62) TLR8ALDH1A1HPGDPDE10AGLA
SCHEMBL28214718 0.80 TLR8 (0.62) TLR8ALDH1A1HPGDPDE10AGLA
SCHEMBL19841045 0.78 TLR8 (0.49) TLR8ALDH1A1HPGDKDM4ETRPV1
SCHEMBL1122100 0.77 RXFP1 (0.49) MAPT
SCHEMBL16862729 0.77 RXFP1 (0.49) MAPT

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
EP-2601221-A1 STABILIZER BASF SE (DE) 2013-06-12 EP disclosed
US-20120071563-A1 STABILIZER BASF SE (DE) 2012-03-22 US disclosed
WO-2012017012-A1 STABILIZER BASF SE (DE) 2012-02-09 WO disclosed
EP-1583547-B1 ANTI-OBESITY INGREDIENTS FROM MEDICINAL PLANTS AND THEIR COMPOSITION KOREA INST ORIENTAL MEDICINE (KR) 2009-09-23 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-20120071563-A1 STABILIZER MGAM, AMY1A, MGAM2 TLR8 2873/4885ALDH1A1 1947/4885HPGD 3750/4885

“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.