SCHEMBL4420837

SCHEMBL4420837

Nc1cc2occc2c2ccoc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
CYP3A4 P08684 3/20 0.34
MAPT P10636 2/20 0.34
CYP2A6 P11509 2/20 0.34
HPGD P15428 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
DYRK1A Q13627 4/20 0.33
KDM4E B2RXH2 3/20 0.33
PAX8 Q06710 1/20 0.33
FTO Q9C0B1 1/20 0.33
MAOA P21397 2/20 0.32
NFKB1 P19838 1/20 0.32
MAOB P27338 1/20 0.32
CYP1A1 P04798 1/20 0.32
CYP1A2 P05177 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
KCNA2 P16389 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
SCHEMBL4415644 0.77 CYP3A4 (0.42) ALDH1A1CYP3A4MAPTCYP2A6HPGD
SCHEMBL4418379 0.74 KCNA3 (0.44) ALDH1A1CYP3A4MAPTCYP2A6HPGD
SCHEMBL26080841 0.74 PAX8 (0.37) ALDH1A1CYP3A4MAPTCYP2A6HPGD
SCHEMBL2268053 0.71 NQO1 (0.36) ALDH1A1CYP3A4MAPTCYP2A6HPGD
SCHEMBL4423464 0.71 LMNA (0.31) MAPTKDM4E
SCHEMBL4420796 0.71 PARP1 (0.30) ALDH1A1
SCHEMBL24036433 0.71 ALDH1A1 (0.36) ALDH1A1CYP3A4HPGDKDM4EMAOA
SCHEMBL4426267 0.71 DYRK1A (0.37) ALDH1A1CYP3A4MAPTCYP2A6HPGD
SCHEMBL30137785 0.71 DYRK1A (0.37) ALDH1A1CYP3A4MAPTCYP2A6HPGD
SCHEMBL4416706 0.69 HTR2A (0.32)

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 ALDH1A1 657/4885CYP3A4 381/4885MAPT 446/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885CYP3A4 381/4885MAPT 446/4885

“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.