SCHEMBL4914488

SCHEMBL4914488

Nc1cc(O)cn1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
AGXT P21549 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MAOB P27338 3/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
DHFR P00374 3/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL4911645 0.75 LTA4H (0.36) SMN1; SMN2LMNATSHRSLC6A2SLC6A3
SCHEMBL4913183 0.73 DHFR (0.38) IDO1SMN1; SMN2AGXTLMNATSHR
SCHEMBL4914000 0.72 IDO1 (0.39) IDO1SMN1; SMN2AGXTLMNATSHR
SCHEMBL4906140 0.72 IDO1 (0.46) IDO1SMN1; SMN2AGXTTSHRMAOB
SCHEMBL4911548 0.70 IDO1 (0.48) IDO1SMN1; SMN2AGXTTSHRMAOB
SCHEMBL4912600 0.69 IDO1 (0.39) IDO1SMN1; SMN2AGXTLMNATSHR
SCHEMBL4911034 0.69 DHFR (0.43) IDO1SMN1; SMN2AGXTTSHRMAOB
SCHEMBL4954100 0.68 ROCK1 (0.36) IDO1LMNATSHRHDAC6MAOB
SCHEMBL4951821 0.68 ROCK1 (0.36) IDO1LMNATSHRHDAC6MAOB
SCHEMBL4912652 0.68 IDO1 (0.42) IDO1SMN1; SMN2AGXTTSHRMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US claimed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US claimed
US-7399317-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-07-15 US disclosed
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-04-24 US disclosed
CN-101010062-A Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE (US) 2007-08-01 CN disclosed
EP-1781241-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2007-05-09 EP disclosed
US-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY 2007-03-08 US disclosed
WO-2006026488-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 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 (2 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-20070050922-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KDM5A, NOX5 IDO1 1934/4885SMN1; SMN2 4726/4885AGXT 2697/4885
US-20080092306-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, KDM5A, NOX5 IDO1 1934/4885SMN1; SMN2 4726/4885AGXT 2697/4885

“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.