SCHEMBL5046574

SCHEMBL5046574

COc1cc2[nH]cnc2o1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.41
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
BRD4 O60885 1/20 0.33
PRNP P04156 1/20 0.33
GFER P55789 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
PDPK1 O15530 1/20 0.31
QPCT Q16769 6/20 0.31
QPCTL Q9NXS2 1/20 0.31
KDM4E B2RXH2 1/20 0.31
APEX1 P27695 1/20 0.31
RECQL P46063 1/20 0.31
BLM P54132 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TERT O14746 1/20 0.30
PNP P00491 1/20 0.30

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
SCHEMBL5036788 0.71
SCHEMBL5042073 0.63 MEN1 (0.40) ALDH1A1MAPTBRD4GFERKDM4E
SCHEMBL5036640 0.63 DYRK1A (0.32)
SCHEMBL5039530 0.60 DYRK1A (0.32)
SCHEMBL5041316 0.60 PDPK1 (0.37) BRD4PDPK1
SCHEMBL953077 0.60 MMP12 (0.56) MMP12ALDH1A1MAPTQPCTKDM4E
SCHEMBL30798720 0.58 MMP12 (0.53) MMP12ALDH1A1MAPTQPCTQPCTL
SCHEMBL29919790 0.58 MMP12 (0.73) MMP12ALDH1A1MAPTPRNPGFER
SCHEMBL5039601 0.58 MMP12 (0.41) MMP12ALDH1A1MAPTBRD4RXFP1
SCHEMBL29424791 0.58 MMP12 (1.00) MMP12ALDH1A1MAPTQPCTQPCTL

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B MMP12 3858/4885ALDH1A1 492/4885MAPT 439/4885

“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.