SCHEMBL5039656

SCHEMBL5039656

CCOc1cc2sccc2[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.41
PSMB8 P28062 1/20 0.39
PARP15 Q460N3 1/20 0.37
PARP10 Q53GL7 1/20 0.37
TNKS2 Q9H2K2 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HSD17B10 Q99714 5/20 0.35
ALDH1A1 P00352 4/20 0.35
MAPT P10636 3/20 0.35
HPGD P15428 2/20 0.35
ESR2 Q92731 1/20 0.35
TSHR P16473 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM1A O60341 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
NQO1 P15559 1/20 0.32

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
SCHEMBL5041886 0.79 DAO (0.44) DAOPSMB8PARP15PARP10TNKS2
SCHEMBL18932884 0.71 DAO (0.44) DAOHRH4HSD17B10ALDH1A1MAPT
SCHEMBL5039549 0.70 DAO (0.43) DAOPSMB8HSD17B10ALDH1A1TSHR
SCHEMBL1161150 0.68 DAO (0.58) DAOHRH4HSD17B10ALDH1A1MAPT
SCHEMBL2594052 0.68 PDGFRB (0.50) HSD17B10ALDH1A1MAPTHPGDKMT2A
SCHEMBL5044375 0.68 HSD17B10 (0.40) PSMB8HSD17B10ALDH1A1MAPTHPGD
SCHEMBL468938 0.67
SCHEMBL15444661 0.67 LOXL2 (0.47) DAOHRH4HSD17B10ALDH1A1TSHR
SCHEMBL17657246 0.67 GRIN2D (0.48) DAOHRH4HSD17B10ALDH1A1MAPT
SCHEMBL19997550 0.67 DAO (0.41) DAOHRH4HSD17B10TSHRKDM1A

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
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 DAO 407/4885PSMB8 1320/4885PARP15 510/4885

“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.