SCHEMBL4426306

SCHEMBL4426306

Nc1cc2c(ccc3[nH]c(O)cc32)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.39
PARP1 P09874 1/20 0.35
SRC P12931 1/20 0.34
PRKACA P17612 1/20 0.34
PRKACG P22612 1/20 0.34
PRKACB P22694 1/20 0.34
HSD17B10 Q99714 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 2/20 0.33
AR P10275 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
HPGD P15428 1/20 0.33
MAP2 P11137 1/20 0.33
TSHR P16473 1/20 0.33
GFER P55789 1/20 0.33
BCHE P06276 2/20 0.33

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
SCHEMBL4420685 0.86 AOC3 (0.48) AOC3PARP1HSD17B10MEN1KMT2A
SCHEMBL5040210 0.77 AOC3 (0.39) AOC3
SCHEMBL4424072 0.75 BCHE (0.32) PARP1BCHEACHE
SCHEMBL4430553 0.74 CDK5 (0.38) PARP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL28114699 0.72 HRH4 (0.44) PARP1HSD17B10KDM4EALDH1A1HPGD
SCHEMBL4420829 0.72 AOC3 (0.38) AOC3PARP1HSD17B10KMT2AKDM4E
SCHEMBL27792418 0.72 IMPDH2 (0.47) AOC3KDM4EALDH1A1AR
SCHEMBL4421167 0.69 AOC3 (0.35) AOC3PARP1HSD17B10MEN1KMT2A
SCHEMBL4426146 0.69 ALDH1A1 (0.39) SRCPRKACAPRKACGPRKACBHSD17B10
SCHEMBL4420696 0.68 MAPT (0.37) AOC3PARP1MEN1KMT2AKDM4E

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 AOC3 376/4885PARP1 1932/4885SRC 2812/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 AOC3 376/4885PARP1 1932/4885SRC 2812/4885

“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.