SCHEMBL6068045

SCHEMBL6068045

Oc1ccc(O)c(-c2cccs2)c1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 2/20 0.45
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
RPS6KB2 Q9UBS0 1/20 0.44
ERN1 O75460 3/20 0.43
KDM4E B2RXH2 4/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PTPRS Q13332 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 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
SCHEMBL6068098 0.84 ELANE (0.44) TMIGD3ADORA2AADORA1RPS6KB2ERN1
SCHEMBL6068128 0.84 TYMP (0.40) TMIGD3ADORA2AADORA1RPS6KB2ERN1
SCHEMBL6067827 0.82 RPS6KB2 (0.47) TMIGD3ADORA2AADORA1RPS6KB2ERN1
SCHEMBL6068140 0.80 ERN1 (0.56) RPS6KB2ERN1KDM4EMEN1KMT2A
SCHEMBL481312 0.79 KDM4E (0.45) TMIGD3ADORA2AADORA1ERN1KDM4E
SCHEMBL6068003 0.77 TMIGD3 (0.51) TMIGD3ADORA2AADORA1RPS6KB2ERN1
SCHEMBL7135870 0.75 MAPT (0.52) RPS6KB2KDM4EMEN1KMT2AALDH1A1
SCHEMBL6067757 0.74 RPS6KB2 (0.48) TMIGD3ADORA2AADORA1RPS6KB2ERN1
SCHEMBL5712500 0.74 KCNH2 (0.43) TMIGD3ADORA2AADORA1RPS6KB2ERN1
SCHEMBL6136941 0.74 KCNH2 (0.43) ADORA1RPS6KB2ERN1KDM4EMEN1

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 TMIGD3 2719/4885ADORA2A 4395/4885ADORA1 3660/4885

“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.