SCHEMBL6068096

SCHEMBL6068096

O=[N+]([O-])c1ccc(-c2ccc(O)cc2O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
ALDH1A1 P00352 4/20 0.55
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
HTT P42858 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
ALOX5 P09917 1/20 0.52
GYS1 P13807 1/20 0.50
TSHR P16473 2/20 0.48
ALOX15 P16050 1/20 0.48
DYRK1A Q13627 1/20 0.48
DYRK1B Q9Y463 1/20 0.48
CTDSP1 Q9GZU7 1/20 0.48
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
GPR35 Q9HC97 2/20 0.47

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
SCHEMBL8465035 0.89 GPR35 (0.60) LMNACA12CA9ALDH1A1MAPT
SCHEMBL16712990 0.84 ESR1 (0.53) LMNACA12CA9ALDH1A1MAPT
SCHEMBL16712988 0.84 HSD17B1 (0.57) LMNACA12CA9ALDH1A1MAPT
SCHEMBL5684890 0.84 ALDH1A1 (0.59) LMNACA12CA9ALDH1A1MAPT
SCHEMBL16712985 0.80 GUSB (0.61) LMNACA12CA9ALDH1A1MAPT
SCHEMBL29199081 0.80 CA1 (0.55) LMNACA12CA9ALDH1A1MAPT
SCHEMBL1539361 0.80 CA1 (0.55) LMNACA12CA9ALDH1A1MAPT
SCHEMBL1539358 0.79 IKBKB (0.56) LMNACA12CA9ALDH1A1MAPT
SCHEMBL9701536 0.79 GPR35 (0.58) LMNACA12CA9ALDH1A1MAPT
SCHEMBL4667166 0.79 ALDH1A1 (0.58) LMNACA12CA9ALDH1A1MAPT

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
US-7125428-B2 1,3-Dihydroxybenzene derivatives and colorants containing said compounds WELLA AG (DE) 2006-10-24 US 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 LMNA 377/4885CA12 1837/4885CA9 2594/4885

“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.