SCHEMBL4430652

SCHEMBL4430652

Nc1cc2ccc3ccoc3c2s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 5/20 0.36
MAOB P27338 2/20 0.36
CYP3A4 P08684 2/20 0.33
CYP2D6 P10635 2/20 0.33
CYP2A6 P11509 2/20 0.33
ACHE P22303 2/20 0.33
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
TSHR P16473 1/20 0.33
PDE4A P27815 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A13 Q16696 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
NFKB1 P19838 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C9 P11712 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL4420026 0.76 BACE1 (0.39) CYP3A4HSD17B10BACE1
SCHEMBL4426182 0.73 BACE1 (0.30) BACE1
SCHEMBL21730024 0.70 MAPT (0.45) CYP3A4CYP2C19CYP1A2KDM4EHSD17B10
SCHEMBL4423458 0.70 GAA (0.33) CYP3A4CYP2D6ACHECYP1A2KDM4E
SCHEMBL17934681 0.70 BACE1 (0.35) KDM4EHSD17B10BACE1
SCHEMBL4419988 0.68 MAOA (0.46) MAOAMAOBCYP3A4CYP2D6CYP2A6
SCHEMBL29591293 0.68 MAOA (0.46) MAOAMAOBCYP3A4CYP2D6CYP2A6
SCHEMBL4421343 0.68 MAOA (0.36) MAOAMAOBCYP1A2
SCHEMBL4424092 0.65 MAOA (0.35) MAOAMAOBCYP2A6HTR2AHTR2C
SCHEMBL29852810 0.65 MAOA (0.35) MAOAMAOBCYP2A6HTR2AHTR2C

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 MAOA 507/4885MAOB 1003/4885CYP3A4 381/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAOA 507/4885MAOB 1003/4885CYP3A4 381/4885

“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.