SCHEMBL4419299

SCHEMBL4419299

Cc1cc2cc3ccoc3cc2o1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.56
CYP2A6 P11509 3/20 0.56
HSD17B10 Q99714 2/20 0.56
ACHE P22303 2/20 0.56
KDM4E B2RXH2 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
NFKB1 P19838 1/20 0.56
MAOA P21397 1/20 0.56
CYP2C19 P33261 1/20 0.56
HTT P42858 1/20 0.48
CYP1A1 P04798 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
THRB P10828 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
CASP1 P29466 1/20 0.41
CASP7 P55210 1/20 0.41
DYRK1A Q13627 4/20 0.40
EGFR P00533 2/20 0.38

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
SCHEMBL17051493 0.94 CYP3A4 (0.48) CYP3A4CYP2A6HSD17B10ACHEKDM4E
SCHEMBL12277878 0.86 CYP3A4 (0.47) CYP3A4CYP2A6HSD17B10ACHEKDM4E
SCHEMBL12277889 0.83 CYP3A4 (0.44) CYP3A4CYP2A6HSD17B10ACHEKDM4E
SCHEMBL4419972 0.82 DYRK1A (0.45) CYP3A4HSD17B10ACHEKDM4EMAOA
SCHEMBL4416833 0.80 CYP2A6 (0.64) CYP3A4CYP2A6HSD17B10ACHEKDM4E
SCHEMBL3467047 0.78 CYP3A4 (0.59) CYP3A4CYP2A6HSD17B10ACHEKDM4E
Benzofuran SCHEMBL5030467 0.77 CA12 (0.42) CYP3A4CYP2A6HSD17B10KDM4EMAOA
SCHEMBL4419431 0.76 CYP2A6 (0.56) CYP3A4CYP2A6HSD17B10ACHEKDM4E
SCHEMBL25165205 0.75 DYRK1A (0.44) CYP3A4HSD17B10ACHEKDM4EMAOA
SCHEMBL9961317 0.75 DYRK1A (0.47) CYP3A4HSD17B10KDM4EMAOACYP1A1

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 CYP3A4 381/4885CYP2A6 405/4885HSD17B10 356/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP3A4 381/4885CYP2A6 405/4885HSD17B10 356/4885

“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.