SCHEMBL18152141

SCHEMBL18152141

CCOc1c(O)ccc(O)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 1/20 0.46
ESR1 P03372 4/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
GLA P06280 1/20 0.40
NQO1 P15559 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AR P10275 2/20 0.38
ESR2 Q92731 2/20 0.38
LTA4H P09960 1/20 0.38
CA12 O43570 3/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA7 P43166 3/20 0.37
CA9 Q16790 3/20 0.37

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
SCHEMBL11062080 0.87 SCN5A (0.43) SCN5AESR1ALDH1A1KDM4EHPGD
SCHEMBL11131743 0.85 NQO1 (0.46) ESR1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL8940830 0.84 ESR1 (0.42) SCN5AESR1ALDH1A1KDM4EHPGD
SCHEMBL10481651 0.81 TYR (0.44) SCN5AESR1ESR2LTA4HCA12
SCHEMBL12476303 0.80 ESR1 (0.47) SCN5AESR1ALDH1A1KDM4EHPGD
SCHEMBL29633624 0.79 CYP3A4 (0.43) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL17644154 0.79 HSD17B10 (0.42) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5336040 0.78 SCN5A (0.44) SCN5AESR1ALDH1A1KDM4EHPGD
SCHEMBL28035916 0.78 GAA (0.42) SCN5AALDH1A1KDM4EHPGDHSD17B10
SCHEMBL11883052 0.77 TUBB1 (0.42) ESR1ALDH1A1KDM4EHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9980893-B2 Dye composition comprising a 1,2,3,4-tetrahydropyrido[2,3-b]pyrazin-7-amine compound L'OREAL (FR) 2018-05-29 US disclosed
US-20160303018-A1 DYE COMPOSITION COMPRISING A 1,2,3,4-TETRAHYDROPYRIDO[2,3-B]PYRAZIN-7-AMINE COMPOUND L'OREAL (FR) 2016-10-20 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-20160303018-A1 DYE COMPOSITION COMPRISING A 1,2,3,4-TETRAHYDROPYRIDO[2,3-B]PYRAZIN-7-AMINE COMPOUND CBR3, AOC3, NOX3 SCN5A 693/4885ESR1 2508/4885ALDH1A1 1378/4885

“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.