SCHEMBL6067795

SCHEMBL6067795

COc1cc(-c2cccs2)c(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.54
RPS6KB2 Q9UBS0 2/20 0.49
GAA P10253 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
HPGD P15428 2/20 0.47
MAPK1 P28482 2/20 0.47
HSD17B10 Q99714 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PPARG P37231 1/20 0.47
NCOA2 Q15596 1/20 0.47
NCOA1 Q15788 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
NCOA3 Q9Y6Q9 1/20 0.47
IDO1 P14902 1/20 0.45
TDO2 P48775 1/20 0.45
SMPD3 Q9NY59 4/20 0.44
RAB9A P51151 3/20 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
SCHEMBL2780877 0.83 RPS6KB2 (0.56) ERN1RPS6KB2GAAMEN1KMT2A
SCHEMBL6067845 0.79 RPS6KB2 (0.55) ERN1RPS6KB2GAAMEN1KMT2A
SCHEMBL14027112 0.79 RPS6KB2 (0.53) ERN1RPS6KB2GAAMEN1KMT2A
SCHEMBL6040741 0.79 ERN1 (0.61) ERN1RPS6KB2ALDH1A1KDM4ETNFRSF1A
SCHEMBL4628631 0.78 TNFRSF1A (0.60) ERN1GAAMEN1KMT2AALDH1A1
SCHEMBL6068037 0.77 MAPT (0.45) ERN1RPS6KB2MEN1KMT2AALDH1A1
SCHEMBL7212822 0.76 RPS6KB2 (0.49) ERN1RPS6KB2GAAMEN1KMT2A
SCHEMBL26259904 0.75 RPS6KB2 (0.56) ERN1RPS6KB2GAAMEN1KMT2A
SCHEMBL1284485 0.74 APP (0.62) ERN1RPS6KB2GAAMEN1KMT2A
SCHEMBL5565309 0.74 ERN1 (0.60) ERN1RPS6KB2GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7125428-B2 1,3-Dihydroxybenzene derivatives and colorants containing said compounds WELLA AG (DE) 2006-10-24 US disclosed
EP-1392673-B1 1,3-DIHYDROXYBENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AG (DE) 2005-06-08 EP disclosed
EP-1392673-A2 1,3-DIHYDROXYBENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS Wella Aktiengesellschaft (DE) 2004-03-03 EP 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
WO-2002096901-A2 1,3-DIHYDROXYBENZENE DERIVATIVES AND COLORANTS CONTAINING SAID COMPOUNDS WELLA AKTIENGESELLSCHAFT (DE) 2002-12-05 WO 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 3125/4885RPS6KB2 2994/4885GAA 3269/4885

“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.