SCHEMBL6067949

SCHEMBL6067949

Oc1cc(O)cc(-c2ccco2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.49
TAAR1 Q96RJ0 2/20 0.48
PTPN1 P18031 1/20 0.47
KEAP1 Q14145 1/20 0.47
TOP1 P11387 1/20 0.43
POLB P06746 2/20 0.43
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
ALOX12 P18054 1/20 0.43
CASP1 P29466 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
SCHEMBL9836893 0.83 ACHE (0.47) ERN1TAAR1PTPN1KEAP1TOP1
SCHEMBL19662062 0.83 TAAR1 (0.58) ERN1TAAR1PTPN1KEAP1TOP1
SCHEMBL418106 0.83 KEAP1 (0.58) ERN1TAAR1KEAP1ESR1ESR2
SCHEMBL30060639 0.83 KEAP1 (0.58) ERN1TAAR1KEAP1ESR1ESR2
SCHEMBL419195 0.79 TAAR1 (0.61) ERN1TAAR1KEAP1POLBESR1
SCHEMBL27639351 0.77 TAAR1 (0.59) ERN1TAAR1KEAP1POLBESR1
SCHEMBL10506266 0.77 TTR (0.50) ERN1TAAR1PTPN1KEAP1TOP1
SCHEMBL394300 0.75 TAAR1 (0.76) ERN1TAAR1KEAP1POLBKDM4E
SCHEMBL30463579 0.74 ERN1 (0.46) ERN1TAAR1PTPN1KEAP1TOP1
SCHEMBL29679522 0.74 ERN1 (0.64) ERN1TAAR1KEAP1POLBKDM4E

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
CN-100349886-C 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2007-11-21 CN disclosed
US-7125428-B2 1,3-Dihydroxybenzene derivatives and colorants containing said compounds WELLA AG (DE) 2006-10-24 US disclosed
CN-1633426-A 1, 3-dihydroxybenzene derivatives and coloring agents containing the same WELLA AG (US) 2005-06-29 CN disclosed
US-20040016063-A1 1,3-Dihydroxybenzene derivatives and colorants containing said compounds HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-01-29 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-20040016063-A1 1,3-Dihydroxybenzene derivatives and colorants containing said compounds KRT18, DSP, COL1A1 ERN1 3125/4885TAAR1 2992/4885PTPN1 3028/4885

“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.