SCHEMBL3955565

SCHEMBL3955565

Cc1cc(O)nc(O)c1C.OCCNc1ccc2c(c1)OCO2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
MAPT P10636 6/20 0.46
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 3/20 0.46
CASP1 P29466 3/20 0.46
KMT2A Q03164 3/20 0.46
GAA P10253 3/20 0.46
USP2 O75604 2/20 0.46
HBB P68871 2/20 0.46
SMN1; SMN2 Q16637 6/20 0.45
HTT P42858 4/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
THRB P10828 1/20 0.45
ALOX12 P18054 1/20 0.45
MAPK1 P28482 1/20 0.45
CASP7 P55210 1/20 0.45
INSR P06213 1/20 0.43
IGF1R P08069 1/20 0.43
SRC P12931 1/20 0.43

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
SCHEMBL29355053 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL34000 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKDM4EMEN1CASP1
Hydrochloric Acid SCHEMBL697970 0.80 ADRA2A (0.55) ALDH1A1MAPTKDM4EMEN1CASP1
Hydrochloric Acid SCHEMBL29358228 0.80 ADRA2A (0.55) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL6344692 0.80 MAPT (0.50) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL6279763 0.74 ADRA2A (0.49) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL11971676 0.73 HSP90AB1 (0.55) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL8442813 0.73 MAPT (0.67) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL11972261 0.72 ALDH1A1 (0.53) ALDH1A1MAPTKDM4EMEN1CASP1
SCHEMBL16828224 0.71 BRD4 (0.46) ALDH1A1MAPTKDM4EMEN1KMT2A

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-7476261-B2 vivid color to hair without causing decomposition of the direct azo dye; excellent fastness to light, wash, sweat, friction and heat; stable to alkalizing agents and oxidizing agents; 4-azo-2,1,3-BENZOTHIADIAZOLE dyes KAO CORPORATION (JP) 2009-01-13 US disclosed
US-20080134448-A1 Hair Dye Composition KAO CORPORATION (JP) 2008-06-12 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-20080134448-A1 Hair Dye Composition MC1R, CYB5R3, MC5R ALDH1A1 1500/4885MAPT 2594/4885KDM4E 1418/4885

“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.