SCHEMBL4424668

SCHEMBL4424668

Oc1cc2c(ccc3sc(O)cc32)s1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
GPR3 P46089 1/20 0.35
MAOA P21397 2/20 0.34
MAOB P27338 2/20 0.34
CA2 P00918 2/20 0.32
CYP1A2 P05177 1/20 0.32
MAPT P10636 2/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
PTPN22 Q9Y2R2 2/20 0.31
HRH4 Q9H3N8 1/20 0.31
EPM2A O95278 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
PTPN7 P35236 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN12 Q05209 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
SCHEMBL4423416 0.86 ALDH1A1 (0.42) ALDH1A1ALOX15
SCHEMBL4417364 0.86 ALDH1A1 (0.42) ALDH1A1ALOX15CA2MAPTHPGD
SCHEMBL4423383 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15GPR3MAPTHPGD
SCHEMBL4426146 0.81 ALDH1A1 (0.39) ALDH1A1ALOX15MAPTHPGD
SCHEMBL4430639 0.79 ALDH1A1 (0.38) ALDH1A1ALOX15MAOAMAOBCA2
SCHEMBL4417342 0.79 ALDH1A1 (0.38) ALDH1A1ALOX15MAOAMAOBCA2
SCHEMBL4421348 0.77 ALDH1A1 (0.36) ALDH1A1ALOX15MAOAMAOBCA2
SCHEMBL8208672 0.74 HTT (0.43) ALDH1A1ALOX15GPR3MAOAMAOB
SCHEMBL28995640 0.74 ALDH1A1 (0.50) ALDH1A1ALOX15GPR3CA2MAPT
SCHEMBL28524731 0.74 PLAU (0.56) ALDH1A1ALOX15GPR3CA2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US claimed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US claimed
EP-1720615-B1 COSMETIC HAIR DYEING COMPOSITIONS CONTAINING THEM AND USE THEREOF PROCTER & GAMBLE (US) 2009-12-30 EP disclosed
US-7468080-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-12-23 US disclosed
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof WELLA OPERATIONS US, LLC 2008-06-12 US disclosed
US-7351266-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-04-01 US disclosed
EP-1720615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-15 EP disclosed
WO-2005087187-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-09-22 WO disclosed
US-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-09-08 US 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-20050193504-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885ALOX15 935/4885GPR3 4370/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885ALOX15 935/4885GPR3 4370/4885

“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.