SCHEMBL4416630

SCHEMBL4416630

Oc1coc2cc3c(O)coc3cc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.37
ALOX12 P18054 1/20 0.37
KDM4E B2RXH2 3/20 0.34
TYR P14679 1/20 0.34
DAO P14920 1/20 0.34
NPC1 O15118 2/20 0.34
ALDH1A1 P00352 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
CA12 O43570 1/20 0.34
AKR1B10 O60218 1/20 0.34
LMNA P02545 1/20 0.34
TTR P02766 1/20 0.34
ESR1 P03372 1/20 0.34
TP53 P04637 1/20 0.34
ALDH2 P05091 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL4419233 0.79 MAPT (0.36) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29972769 0.78 KDM4E (0.54) ALOX15KDM4ENPC1ALDH1A1RAB9A
SCHEMBL4423228 0.76 CYP2A6 (0.42) KDM4EALDH1A1CYP3A4CYP2D6MAPT
SCHEMBL18936067 0.74 SIRT1 (0.38) ALOX15ALOX12NPC1ALDH1A1RAB9A
SCHEMBL4424113 0.72 CYP2A6 (0.33) ALOX15ALOX12KDM4ENPC1RAB9A
SCHEMBL276154 0.70 MAOB (0.48) CA12MAOAMAOBMIFSIRT1
Methane SCHEMBL28591261 0.69 MAOB (0.47) CA12MAOAMAOBMIFPTPN1
SCHEMBL28864120 0.69 MAOB (0.47) CA12MAOAMAOBMIFSIRT1
SCHEMBL11412845 0.67 KDM4E (0.65) KDM4ENPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL5039548 0.60 TYR (0.35) KDM4ETYRDAO

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 ALOX15 935/4885ALOX12 1626/4885KDM4E 1418/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALOX15 935/4885ALOX12 1626/4885KDM4E 1418/4885

“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.