SCHEMBL4424969

SCHEMBL4424969

Oc1cc2c(ccc3oc(Cl)cc32)o1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 7/20 0.39
NQO1 P15559 1/20 0.35
CDK9 P50750 1/20 0.34
DYRK1A Q13627 1/20 0.34
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HSD17B10 Q99714 2/20 0.33
HPGD P15428 1/20 0.33
MCL1 Q07820 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
PIM1 P11309 1/20 0.32
CSNK2A1 P68400 1/20 0.32
ESR1 P03372 1/20 0.32
ESR2 Q92731 1/20 0.32
HTT P42858 2/20 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
SCHEMBL4420828 0.86 MAPT (0.40) AHRALDH1A1LMNAKDM4EHSD17B10
SCHEMBL4428329 0.74 MAPT (0.41) AHRNQO1ALDH1A1LMNAKDM4E
SCHEMBL4424666 0.72 PAX8 (0.51) CDK9DYRK1AALDH1A1LMNAKDM4E
SCHEMBL4417342 0.68 ALDH1A1 (0.38) ALDH1A1HPGDPIM1ESR1ESR2
SCHEMBL446842 0.67 CYP1A2 (0.46) AHRTTR
SCHEMBL13561816 0.66 PIM1 (0.41) AHRALDH1A1KDM4EHSD17B10HPGD
SCHEMBL27890315 0.65 FLT3 (0.55) CDK9DYRK1AALDH1A1LMNAKDM4E
SCHEMBL15031529 0.65 MAOB (0.55) ALDH1A1LMNAKDM4EHSD17B10MAPT
SCHEMBL2282515 0.64 AHR (0.78) AHRNQO1ALDH1A1LMNAKDM4E
SCHEMBL5308204 0.64 MAPT (0.64) ALDH1A1LMNAKDM4EHSD17B10HPGD

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 AHR 988/4885NQO1 219/4885CDK9 1451/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 AHR 988/4885NQO1 219/4885CDK9 1451/4885

“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.