SCHEMBL4429400

SCHEMBL4429400

Oc1cc2c(ccc3[nH]c(O)cc32)[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 3/20 0.43
PRKACA P17612 2/20 0.43
PRKACG P22612 2/20 0.43
PRKACB P22694 2/20 0.43
ALDH1A1 P00352 6/20 0.41
KDM4E B2RXH2 4/20 0.41
HSD17B10 Q99714 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
GFER P55789 1/20 0.41
HPGD P15428 1/20 0.40
AHR P35869 1/20 0.40
AR P10275 2/20 0.39
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
CASP6 P55212 1/20 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
SCHEMBL4426306 0.86 AOC3 (0.39) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL4426146 0.81 ALDH1A1 (0.39) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL4424072 0.78 BCHE (0.32) BCHEACHE
SCHEMBL11810438 0.74 TDP1 (0.61) SRCPRKACAPRKACGPRKACBHSD17B10
SCHEMBL30545874 0.74 TDP1 (0.61) SRCPRKACAPRKACGPRKACBHSD17B10
SCHEMBL19373476 0.74 DAO (0.62) ALDH1A1HSD17B10HPGDAHRGAA
SCHEMBL5039730 0.74 SRC (0.38) SRCPRKACAPRKACGPRKACBALDH1A1
SCHEMBL8535601 0.70 HPGD (0.64) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL21979963 0.70 HPGD (0.64) PRKACAALDH1A1KDM4EHSD17B10MAPT
SCHEMBL6667751 0.69 GAA (0.60) ALDH1A1KDM4EHSD17B10MEN1KMT2A

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 SRC 2812/4885PRKACA 1412/4885PRKACG 1168/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 SRC 2812/4885PRKACA 1412/4885PRKACG 1168/4885

“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.