SCHEMBL3876539

SCHEMBL3876539

Cn1c2cc(N)cc(O)c2c2c(O)cc(N)cc21

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
CASP1 P29466 1/20 0.37
PDE10A Q9Y233 1/20 0.32
THRB P10828 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ADORA3 P0DMS8 2/20 0.30
ADORA2A P29274 2/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL3887790 0.83 ESR1 (0.34)
SCHEMBL3874491 0.82 GPR3 (0.48) MAPTHTTALDH1A1HSD17B10
SCHEMBL3881292 0.76 ATAD2 (0.34) TSHRCASP1ALDH1A1
SCHEMBL3887737 0.76 ESR1 (0.39) TSHRCASP1MAPTHTTALDH1A1
SCHEMBL3874005 0.75 KDM4E (0.36) MAPTHTTALDH1A1
SCHEMBL3876743 0.68 ESR1 (0.36) ADORA3ADORA2A
SCHEMBL3873427 0.68 TSHR (0.37) TSHRCASP1PDE10ATHRBMAPT
SCHEMBL3874879 0.67 SRC (0.39) TSHRCASP1PDE10ATHRBMAPT
SCHEMBL9363576 0.65 TTR (0.46) PDE10ATHRBMAPTALDH1A1ADORA3
SCHEMBL1742155 0.64 ACHE (0.58) TSHRCASP1PDE10ATHRBMAPT

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-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 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 TSHR 4709/4885CASP1 1707/4885PDE10A 4521/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 TSHR 4709/4885CASP1 1707/4885PDE10A 4521/4885

“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.