SCHEMBL6068141

SCHEMBL6068141

Nc1csc(-c2cc(O)cc(O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 7/20 0.41
HSD17B2 P37059 7/20 0.41
CYP3A4 P08684 2/20 0.39
CYP2C9 P11712 1/20 0.39
BACE1 P56817 1/20 0.35
NQO1 P15559 1/20 0.34
ABL1 P00519 1/20 0.34
ABCB1 P08183 1/20 0.34
BCR P11274 1/20 0.34
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
APP P05067 1/20 0.32
CYP19A1 P11511 1/20 0.32
DYRK1B Q9Y463 2/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
LTA4H P09960 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
DYRK1A Q13627 1/20 0.30

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
SCHEMBL28016402 0.84 DYRK1B (0.35) HSD17B1HSD17B2DYRK1BDYRK1A
SCHEMBL19990277 0.81 HSD17B1 (0.55) HSD17B1HSD17B2CYP3A4CYP2C9APP
SCHEMBL6068059 0.74 HSD17B1 (0.43) HSD17B1HSD17B2CYP3A4CYP2C9BACE1
SCHEMBL6067973 0.74 HSD17B1 (0.41) HSD17B1HSD17B2CYP3A4CYP2C9BACE1
SCHEMBL4489979 0.71 MAOA (0.48) HSD17B1HSD17B2CYP3A4CYP2C9DYRK1B
SCHEMBL3246718 0.70 CDC7 (0.47) CYP3A4CYP2D6CYP19A1DYRK1BDYRK1A
SCHEMBL6068179 0.69 TYR (0.51) HSD17B1HSD17B2CYP3A4CYP2C9ESR1
SCHEMBL27636869 0.68 CA2 (0.43) HSD17B1HSD17B2MKNK1MKNK2
SCHEMBL3082747 0.68 MAPT (0.44) HSD17B1HSD17B2CYP3A4CYP2C9CYP2C19
SCHEMBL30421266 0.68 IKBKB (0.49) CYP3A4CYP2C9BACE1CYP2C19DYRK1B

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 HSD17B1 746/4885HSD17B2 1218/4885CYP3A4 632/4885

“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.