SCHEMBL3883602

SCHEMBL3883602

Oc1cc(O)c2sc3c(O)cc(O)cc3c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
BACE1 P56817 1/20 0.37
NQO1 P15559 1/20 0.36
NQO2 P16083 1/20 0.36
APP P05067 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
FASN P49327 1/20 0.32
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
HCRTR1 O43613 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL3874854 0.82
SCHEMBL3881366 0.79 MAPT (0.53) MEN1KMT2AHPGDNQO2MAOA
SCHEMBL3873419 0.74 CA12 (0.34) BACE1HCRTR1ALDH1A1LMNAPOLB
SCHEMBL3874487 0.74 TSHR (0.34) CYP3A4ESR2ALDH1A1MAPT
SCHEMBL20356057 0.72 BACE1 (0.50) CYP3A4MEN1KMT2AHPGDBACE1
SCHEMBL22966122 0.67 SELL (0.33) MEN1KMT2AHPGDBACE1APP
SCHEMBL24508045 0.64 TRPA1 (0.43) MEN1KMT2AHPGDTDP1HCRTR1
SCHEMBL23277127 0.64 ALOX5 (0.44) CYP3A4NQO2TDP1MAOAMAOB
SCHEMBL17037071 0.63 MAPT (0.41) HPGDMAOAMAOBESR1ESR2
SCHEMBL24091323 0.61 MAOA (0.56) CYP3A4MEN1KMT2AHPGDBACE1

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 CYP3A4 505/4885MEN1 4857/4885KMT2A 1681/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 CYP3A4 505/4885MEN1 4857/4885KMT2A 1681/4885

“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.