SCHEMBL3885372

SCHEMBL3885372

Nc1cccc2sc3cccc(O)c3c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.44
TSHR P16473 4/20 0.44
PDPK1 O15530 1/20 0.44
TDP1 Q9NUW8 5/20 0.41
HPGD P15428 4/20 0.41
HSD17B10 Q99714 4/20 0.41
RECQL P46063 3/20 0.41
MAPT P10636 3/20 0.41
CASP1 P29466 2/20 0.41
APP P05067 1/20 0.41
THRB P10828 1/20 0.41
SNCA P37840 1/20 0.41
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
NR4A1 P22736 1/20 0.38
CA2 P00918 3/20 0.37
ALDH1A1 P00352 5/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DNMT1 P26358 1/20 0.34

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
SCHEMBL3875482 0.87 ALDH1A1 (0.41) ALOX15TSHRPDPK1TDP1HPGD
SCHEMBL3875204 0.87 HPGD (0.52) ALOX15TSHRPDPK1TDP1HPGD
SCHEMBL444774 0.73 TSHR (0.52) ALOX15TSHRTDP1HPGDHSD17B10
SCHEMBL30845313 0.73 TSHR (0.52) ALOX15TSHRTDP1HPGDHSD17B10
SCHEMBL29365168 0.73 TSHR (0.52) ALOX15TSHRTDP1HPGDHSD17B10
SCHEMBL2338956 0.72 GPR3 (0.54) ALOX15TSHRTDP1HPGDHSD17B10
SCHEMBL3292566 0.72 GPR3 (0.54) ALOX15TSHRTDP1HPGDHSD17B10
SCHEMBL29671007 0.72 GPR3 (0.54) ALOX15TSHRTDP1HPGDHSD17B10
SCHEMBL7916033 0.71 TSHR (0.50) ALOX15TSHRTDP1HPGDHSD17B10
SCHEMBL31511770 0.71 TSHR (0.50) ALOX15TSHRTDP1HPGDHSD17B10

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-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALOX15 1141/4885TSHR 4709/4885PDPK1 3432/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 ALOX15 1141/4885TSHR 4709/4885PDPK1 3432/4885

“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.