SCHEMBL4420828

SCHEMBL4420828

Oc1cc2c(ccc3oc(O)cc32)o1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KDM4E B2RXH2 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HSD17B10 Q99714 4/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
ALOX15 P16050 2/20 0.40
HTT P42858 2/20 0.40
PIM1 P11309 4/20 0.39
CSNK2A1 P68400 3/20 0.39
ESR2 Q92731 2/20 0.39
ESR1 P03372 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HPGD P15428 3/20 0.38
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
AHR P35869 1/20 0.38
CYP3A4 P08684 3/20 0.38
MAOA P21397 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
SCHEMBL4428329 0.86 MAPT (0.41) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4424969 0.86 AHR (0.39) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4424666 0.84 PAX8 (0.51) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL4417342 0.79 ALDH1A1 (0.38) MAPTALDH1A1ALOX15HTTPIM1
SCHEMBL5308204 0.74 MAPT (0.64) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL5041090 0.74 KDM4E (0.35) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL8773390 0.70 CSNK2A2 (0.62) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL1961365 0.69 KDM4E (0.59) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1
SCHEMBL17265872 0.69 FLT3 (0.59) KDM4ESMN1; SMN2HSD17B10ALDH1A1LMNA
SCHEMBL11831965 0.67 KDM4E (0.82) MAPTKDM4ESMN1; SMN2HSD17B10ALDH1A1

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 MAPT 446/4885KDM4E 1418/4885SMN1; SMN2 4828/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 MAPT 446/4885KDM4E 1418/4885SMN1; SMN2 4828/4885

“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.