SCHEMBL5154077

SCHEMBL5154077

COc1c[nH]cc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.52
LCK P06239 1/20 0.48
FYN P06241 1/20 0.48
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
HPGD P15428 3/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTT P42858 1/20 0.46
MYC P01106 1/20 0.44
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
PKM P14618 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL9549453 0.80 KDM4E (0.50) ALDH1A1KDM4EHPGDMAPTHTT
SCHEMBL721113 0.74
SCHEMBL70047 0.74 NOTUM (0.65) NOTUMALDH1A1KDM4EHPGDMAPT
SCHEMBL20606051 0.74 ALDH1A1 (0.49) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL2830233 0.73 LCK (0.72) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL1417516 0.73 LCK (0.72) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL30415497 0.73 LCK (0.72) LCKFYNALDH1A1KDM4EHPGD
SCHEMBL261551 0.73 NOTUM (0.52) NOTUMALDH1A1KDM4EMAPTCA12
Methoxymethane SCHEMBL9291880 0.73 NOTUM (0.86) NOTUMLCKFYNALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8902783 0.71 LCK (0.69) LCKFYNALDH1A1KDM4EHPGD

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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US claimed
US-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US disclosed
EP-1737417-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-01-03 EP disclosed
US-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-15 US disclosed
WO-2005074875-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-18 WO disclosed
US-3966739-A ADRENOLYTIC, HYPOTENSIVE, SEDATIVE, ANTISEROTONINIC SOCIETA' FARMACEUTICI ITALIA S.P.A. (IT) 1976-06-29 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-20050198745-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, CYB5R3 NOTUM 1891/4885LCK 1875/4885FYN 1058/4885

“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.