SCHEMBL5154162

SCHEMBL5154162

Nc1oc(O)nc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.48
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 1/20 0.44
HPGD P15428 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 2/20 0.42
RXRB P28702 2/20 0.42
NR4A1 P22736 1/20 0.42
NR4A3 Q92570 1/20 0.42
ADORA2A P29274 5/20 0.42
ADORA1 P30542 4/20 0.42
IKBKB O14920 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CSNK1A1 P48729 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
RXRG P48443 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL5154427 0.79 NR4A2 (0.68) NR4A2ALDH1A1KDM4ELMNAGLA
SCHEMBL5154537 0.79 NR4A2 (0.45) NR4A2ALDH1A1KDM4ELMNAGLA
SCHEMBL4741741 0.78 IKBKB (0.56) NR4A2ALDH1A1KDM4ELMNAGLA
SCHEMBL11450560 0.78 NR4A2 (0.65) NR4A2ALDH1A1KDM4ELMNAHPGD
SCHEMBL15716348 0.76 MAPK13 (0.54) NR4A2ALDH1A1KDM4ELMNAGLA
SCHEMBL5154448 0.72 NR4A2 (0.63) NR4A2ALDH1A1KDM4ELMNAGLA
SCHEMBL28302861 0.71 RAB9A (0.49) NR4A2ALDH1A1KDM4ELMNAGLA
SCHEMBL2364161 0.67 NR4A2 (0.45) NR4A2ALDH1A1KDM4ELMNAHPGD
SCHEMBL14733300 0.66 ADORA2A (0.60) NR4A2ALDH1A1KDM4ELMNAGLA
SCHEMBL330227 0.65 NR4A2 (1.00) NR4A2ALDH1A1KDM4ELMNAGLA

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-7297168-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-11-20 US claimed
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 NR4A2 4127/4885ALDH1A1 782/4885KDM4E 756/4885

“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.