SCHEMBL5685019

SCHEMBL5685019

Nc1ccc(-c2cccc(-c3ccccc3)c2)c(O)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.57
HSD17B10 Q99714 3/20 0.50
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 2/20 0.50
KMT2A Q03164 2/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 2/20 0.50
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50
HSP90AA1 P07900 1/20 0.50
ALOX15 P16050 1/20 0.50
ALOX12 P18054 1/20 0.50
HTT P42858 1/20 0.50
ALOX5 P09917 2/20 0.48
CYP3A4 P08684 2/20 0.46
TAAR1 Q96RJ0 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HDAC4 P56524 1/20 0.46

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
Hydrochloric Acid SCHEMBL5687668 0.98 MAOA (0.55) MAOAHSD17B10ALDH1A1MEN1HPGD
SCHEMBL5685514 0.88 ALOX5 (0.57) MAOAHSD17B10ALDH1A1MEN1HPGD
SCHEMBL3788108 0.88 ALOX5 (0.61) MAOAHSD17B10ALDH1A1MEN1HPGD
SCHEMBL3790537 0.86 MAOA (0.52) MAOAALDH1A1MEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL5685522 0.86 ALOX5 (0.59) MAOAHSD17B10ALDH1A1MEN1HPGD
Hydrochloric Acid SCHEMBL5685035 0.84 MAOA (0.50) MAOAALDH1A1MEN1MAPTKDM4E
SCHEMBL24079330 0.82 MAOA (0.59) MAOAHSD17B10ALDH1A1MEN1HPGD
SCHEMBL16820316 0.82 MAOA (0.59) MAOAHSD17B10ALDH1A1MEN1HPGD
SCHEMBL5685565 0.82 CA12 (0.56) HSD17B10ALDH1A1LMNAALOX5CYP3A4
SCHEMBL24079307 0.81 MAOA (0.57) MAOAHSD17B10ALDH1A1MEN1HPGD

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7077872-B2 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AG (DE) 2006-07-18 US disclosed
EP-1418879-B1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AG (DE) 2006-04-12 EP disclosed
US-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives WELLA AKTIENGESELLSCHAFT (DE) 2004-10-14 US disclosed
EP-1418879-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES Wella Aktiengesellschaft (DE) 2004-05-19 EP disclosed
WO-2003017955-A1 OXIDATION HAIR DYES CONTAINING 3-AMINOPHENOL DERIVATIVES, AND NOVEL 3-AMINOPHENOL DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-03-06 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-20040200010-A1 Oxidation hair dyes containing 3-aminophenol derivatives, and novel 3-aminophenol derivatives KRT18, S100P, ALDH7A1 MAOA 1207/4885HSD17B10 483/4885ALDH1A1 84/4885

“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.