SCHEMBL6068002

SCHEMBL6068002

CC(=O)c1cccc(-c2ccc(O)cc2O)c1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.53
HSD17B1 P14061 4/20 0.50
WEE1 P30291 1/20 0.49
AMY1A P0DUB6 1/20 0.49
CNR2 P34972 1/20 0.48
CHEK1 O14757 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP11 Q9NR21 1/20 0.46
TDP2 O95551 1/20 0.46
HSD17B2 P37059 1/20 0.45
FYN P06241 2/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
BRD4 O60885 1/20 0.44
BRD2 P25440 1/20 0.44
CREBBP Q92793 1/20 0.44

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
SCHEMBL24454658 0.84 ALDH1A1 (0.50) CNR2CHEK1MEN1KMT2ABRD4
SCHEMBL4171236 0.84 ALOX5 (0.60) ALOX5CNR2AKR1C3AKR1C2MEN1
SCHEMBL2558335 0.83 CNR2 (0.56) CNR2AKR1C3AKR1C2
SCHEMBL13639736 0.83 PARP1 (0.61) ALOX5CNR2TDP2FYN
SCHEMBL27598108 0.82 HSP90AB1 (0.51) ALOX5HSD17B1CNR2HSD17B2MEN1
SCHEMBL1513826 0.82 FYN (0.56) HSD17B1HSD17B2FYNMEN1KMT2A
SCHEMBL2786037 0.80 HSD17B1 (0.64) HSD17B1TDP2HSD17B2MEN1KMT2A
SCHEMBL10389918 0.79 MAP4K4 (0.59) CHEK1PARP10PARP11TDP2FYN
SCHEMBL23289050 0.79 KMT2A (0.63) HSD17B1CHEK1TDP2HSD17B2MEN1
SCHEMBL23289053 0.79 KMT2A (0.63) HSD17B1CHEK1TDP2HSD17B2MEN1

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 ALOX5 3355/4885HSD17B1 746/4885WEE1 3431/4885

“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.