SCHEMBL6068183

SCHEMBL6068183

Cc1c(O)ccc(-c2cccs2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 2/20 0.45
TMIGD3 P0DMS9 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.42
NFKB1 P19838 1/20 0.42
AHR P35869 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RPS6KB2 Q9UBS0 1/20 0.40
TOP2A P11388 1/20 0.39
LTA4H P09960 1/20 0.38
ALDH1A1 P00352 3/20 0.36
GAA P10253 3/20 0.36
KEAP1 Q14145 1/20 0.36

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
SCHEMBL6068003 0.82 TMIGD3 (0.51) ERN1TMIGD3ADORA2AADORA1MEN1
SCHEMBL18133656 0.82 ERN1 (0.50) ERN1TMIGD3ADORA2AADORA1MEN1
SCHEMBL6068121 0.79 TMIGD3 (0.45) ERN1TMIGD3ADORA2AADORA1MEN1
SCHEMBL6067986 0.77 ERN1 (0.52) ERN1TMIGD3ADORA2AADORA1MEN1
SCHEMBL11802995 0.75 ESR1 (0.46) MEN1KMT2AMAPTLMNATDP1
SCHEMBL14027112 0.73 RPS6KB2 (0.53) ERN1TMIGD3ADORA2AADORA1MEN1
SCHEMBL6068205 0.73 ESR1 (0.43) ERN1TMIGD3ADORA2AADORA1MEN1
SCHEMBL6068037 0.72 MAPT (0.45) ERN1TMIGD3ADORA2AADORA1MEN1
SCHEMBL276422 0.71 MAPT (0.45) ERN1TMIGD3ADORA2AADORA1MEN1
SCHEMBL12980112 0.71 ALDH1A1 (0.41) ERN1MEN1KMT2AMAPTNFKB1

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 3 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
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 3125/4885TMIGD3 2719/4885ADORA2A 4395/4885

“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.