SCHEMBL4430639

SCHEMBL4430639

Oc1cc2c(ccc3occc32)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
ALOX15 P16050 1/20 0.38
HPGD P15428 3/20 0.38
CYP3A4 P08684 2/20 0.38
MAPT P10636 2/20 0.38
CYP2A6 P11509 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PAX8 Q06710 1/20 0.37
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
NFKB1 P19838 1/20 0.36
FTO Q9C0B1 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDK1 P06493 1/20 0.32
MAPKAPK2 P49137 1/20 0.32
CCNT1 O60563 1/20 0.32
CYP1A1 P04798 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
SCHEMBL4424668 0.79 ALDH1A1 (0.52) ALDH1A1ALOX15HPGDMAPTMAOA
SCHEMBL4427612 0.78 PAX8 (0.37) PAX8MAOAMAOBNFKB1CDK1
SCHEMBL4417342 0.74 ALDH1A1 (0.38) ALDH1A1ALOX15HPGDMAPTMAOA
SCHEMBL5036339 0.74
SCHEMBL4429415 0.72 PAX8 (0.48) ALDH1A1HPGDCYP3A4MAPTCYP2A6
SCHEMBL4421348 0.71 ALDH1A1 (0.36) ALDH1A1ALOX15HPGDMAPTMAOA
SCHEMBL4423416 0.68 ALDH1A1 (0.42) ALDH1A1ALOX15KDM4EHSD17B10
SCHEMBL4417364 0.68 ALDH1A1 (0.42) ALDH1A1ALOX15HPGDMAPTCA2
SCHEMBL15465932 0.67 PAX8 (0.45) ALDH1A1HPGDCYP3A4MAPTCYP2A6
SCHEMBL17426271 0.67 PAX8 (0.45) ALDH1A1HPGDCYP3A4MAPTCYP2A6

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 657/4885ALOX15 935/4885HPGD 242/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885ALOX15 935/4885HPGD 242/4885

“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.