SCHEMBL6068124

SCHEMBL6068124

Oc1cc(-c2cccs2)cc(O)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 5/20 0.49
RPS6KB2 Q9UBS0 1/20 0.46
KCNH2 Q12809 1/20 0.44
PTPN1 P18031 1/20 0.44
FTO Q9C0B1 1/20 0.42
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
LTA4H P09960 1/20 0.41
PDK2 Q15119 1/20 0.40
SMPD3 Q9NY59 1/20 0.39
HDAC2 Q92769 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
QPCT Q16769 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
SCHEMBL6068010 0.83 ERN1 (0.56) ERN1RPS6KB2KCNH2PTPN1CYP2E1
SCHEMBL6067831 0.80 ERN1 (0.49) ERN1RPS6KB2KCNH2PTPN1CYP2E1
SCHEMBL9436340 0.80 TTR (0.50) ERN1RPS6KB2KCNH2PTPN1FTO
SCHEMBL6068014 0.79 ESR1 (0.43) ERN1RPS6KB2KDM4EMAPTQPCT
SCHEMBL4338418 0.78 KCNH2 (0.58) ERN1RPS6KB2KCNH2PTPN1CYP2E1
SCHEMBL6068103 0.78 ERN1 (0.64) ERN1RPS6KB2KCNH2LTA4HPDK2
SCHEMBL29744559 0.78 ERN1 (0.64) ERN1RPS6KB2KCNH2LTA4HPDK2
SCHEMBL6068213 0.77 ERN1 (0.49) ERN1RPS6KB2KCNH2PTPN1CYP2E1
SCHEMBL4347551 0.77 KCNH2 (0.48) ERN1KCNH2PTPN1FTOCYP2E1
SCHEMBL6067846 0.76 ERN1 (0.52) ERN1RPS6KB2SMPD3KDM4EMAPT

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 ERN1 3125/4885RPS6KB2 2994/4885KCNH2 673/4885

“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.