SCHEMBL5164776

SCHEMBL5164776

COc1ccc(NC(=O)Cc2cc(O)ccc2N)c(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.55
HSD17B10 Q99714 1/20 0.55
USP2 O75604 1/20 0.55
MAPT P10636 2/20 0.54
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
LMNA P02545 1/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL5160096 0.85 ALDH1A1 (0.60) ALDH1A1KDM4EHSD17B10MAPTLMNA
SCHEMBL5162662 0.83 NLRP3 (0.54) ALDH1A1MAPTNPC1RAB9ALMNA
SCHEMBL19427445 0.82 ALDH1A1 (0.75) ALDH1A1USP2MAPTNPC1RAB9A
SCHEMBL5164423 0.82 ALDH1A1 (0.63) ALDH1A1USP2MAPTNPC1RAB9A
Ammonia Solution, Strong SCHEMBL5307185 0.81 ALDH1A1 (0.61) ALDH1A1USP2MAPTNPC1RAB9A
SCHEMBL19427444 0.81 ALDH1A1 (0.73) ALDH1A1HSD17B10USP2MAPTNPC1
SCHEMBL5164584 0.80 USP2 (0.60) ALDH1A1KDM4EHSD17B10USP2NPC1
SCHEMBL10852085 0.75 ALDH1A1 (0.82) ALDH1A1USP2MAPTNPC1RAB9A
SCHEMBL2092853 0.75 ALDH1A1 (0.82) ALDH1A1USP2MAPTNPC1RAB9A
SCHEMBL2092856 0.75 ALDH1A1 (0.82) ALDH1A1USP2MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US claimed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP claimed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
US-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds PROCTER & GAMBLE COMPANY, THE 2007-03-29 US disclosed
EP-1762218-A1 4-aminophenol derivatives and colorants comprising these compounds Wella Aktiengesellschaft (DE) 2007-03-14 EP disclosed
WO-2007026313-A2 4-AMINOPHENOL DERIVATIVES AND COLORANTS COMPRISING THESE COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 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-20070067922-A1 4-Aminophenol derivatives and colorants comprising these compounds KRT18, S100A4, CKAP4 ALDH1A1 309/4885KDM4E 251/4885HSD17B10 1395/4885

“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.