SCHEMBL6067941

SCHEMBL6067941

O=[N+]([O-])c1csc(-c2c(O)cccc2O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.44
ALDH1A1 P00352 4/20 0.44
ALOX15 P16050 1/20 0.44
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
THRB P10828 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
CSNK2A3 Q8NEV1 1/20 0.41
CA2 P00918 1/20 0.40
CA5A P35218 1/20 0.40
GPR35 Q9HC97 3/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 1/20 0.39

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
SCHEMBL5712467 0.93 GAA (0.44) TSHRALDH1A1ALOX15LMNAGAA
SCHEMBL5575054 0.78 HSD17B1 (0.47) TSHRALDH1A1ALOX15LMNAMEN1
SCHEMBL5705069 0.78 ALOX15 (0.47) TSHRALDH1A1ALOX15LMNAGAA
SCHEMBL22157992 0.77 ALDH1A1 (0.48) TSHRALDH1A1LMNAGAAMEN1
SCHEMBL6068115 0.75 ALDH1A1 (0.47) TSHRALDH1A1ALOX15LMNAGAA
SCHEMBL6136824 0.75 ALOX15 (0.49) TSHRALDH1A1ALOX15LMNAGAA
SCHEMBL6067967 0.72 MEN1 (0.43) TSHRALDH1A1ALOX15LMNAMEN1
SCHEMBL6068046 0.71 MAOA (0.39) TSHRALDH1A1ALOX15LMNAMEN1
SCHEMBL1457080 0.70
SCHEMBL16990732 0.70 ALDH1A1 (0.45) TSHRALDH1A1LMNAGAAMEN1

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 TSHR 4633/4885ALDH1A1 34/4885ALOX15 3186/4885

“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.