SCHEMBL4417342

SCHEMBL4417342

Oc1cc2c(ccc3sc(O)cc32)o1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
CA2 P00918 1/20 0.33
ALPI P09923 1/20 0.33
MAPT P10636 1/20 0.33
ALPG P10696 1/20 0.33
HPGD P15428 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 1/20 0.33
PIM1 P11309 1/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL4421348 0.82 ALDH1A1 (0.36) ALDH1A1ALOX15CA2ALPIMAPT
SCHEMBL4420828 0.79 MAPT (0.40) ALDH1A1ALOX15MAPTHPGDMAOA
SCHEMBL4424668 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15CA2ALPIMAPT
SCHEMBL4430639 0.74 ALDH1A1 (0.38) ALDH1A1ALOX15CA2ALPIMAPT
SCHEMBL5040111 0.71 CA2 (0.35) ALDH1A1ALOX15CA2ALPIMAPT
SCHEMBL4423416 0.68 ALDH1A1 (0.42) ALDH1A1ALOX15
SCHEMBL4424969 0.68 AHR (0.39) ALDH1A1ALOX15MAPTHPGDHTT
SCHEMBL4417364 0.68 ALDH1A1 (0.42) ALDH1A1ALOX15CA2MAPTHPGD
SCHEMBL4428329 0.68 MAPT (0.41) ALDH1A1ALOX15MAPTHPGDMAOA
SCHEMBL4423383 0.67 ALDH1A1 (0.41) ALDH1A1ALOX15MAPTHPGDHTT

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 935/4885CA2 1520/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885ALOX15 935/4885CA2 1520/4885

“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.