SCHEMBL5153802

SCHEMBL5153802

COc1[nH]cc(C(=O)O)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.44
HSD17B10 Q99714 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
NOTUM Q6P988 1/20 0.38
PRKAB2 O43741 5/20 0.36
PRKAG1 P54619 5/20 0.36
PRKAA2 P54646 5/20 0.36
PRKAA1 Q13131 5/20 0.36
PRKAG3 Q9UGI9 5/20 0.36
PRKAG2 Q9UGJ0 5/20 0.36
PRKAB1 Q9Y478 5/20 0.36
KDM3B Q7LBC6 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
POLB P06746 1/20 0.34
TPMT P51580 1/20 0.34

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
SCHEMBL13698067 0.80 HSD17B10 (0.42) PKMHSD17B10TDP1MAPTKDM4E
Butane SCHEMBL4112579 0.74 HSD17B10 (0.38) PKMHSD17B10TDP1MAPTKDM4E
SCHEMBL755293 0.72 KDM4E (0.48) HSD17B10TDP1MAPTKDM4EALDH1A1
SCHEMBL5515030 0.71 KDM4E (0.35) PKMHSD17B10TDP1MAPTKDM4E
SCHEMBL5154326 0.69 KEAP1 (0.40) TDP1MAPTKDM4EALDH1A1HPGD
SCHEMBL30819290 0.69 KDM4E (0.46) HSD17B10TDP1MAPTKDM4EALDH1A1
SCHEMBL1505827 0.69 TDP1 (0.61) PKMHSD17B10TDP1MAPTKDM4E
SCHEMBL6206909 0.68 KDM4E (0.41) HSD17B10TDP1MAPTKDM4EALDH1A1
SCHEMBL5173407 0.68 CA12 (0.48) PKMHSD17B10TDP1MAPTKDM4E
SCHEMBL17417754 0.67 HSD17B10 (0.43) HSD17B10TDP1MAPTKDM4EALDH1A1

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-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

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 PKM 517/4885HSD17B10 588/4885TDP1 3239/4885

“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.