SCHEMBL4430216

SCHEMBL4430216

Nc1cc2cc3[nH]ccc3cc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.52
GPR84 Q9NQS5 1/20 0.47
EHMT2 Q96KQ7 1/20 0.46
CSNK2A1 P68400 1/20 0.41
NPC1 O15118 1/20 0.41
AHR P35869 6/20 0.41
NR4A2 P43354 2/20 0.41
CYP2A6 P11509 1/20 0.41
CMA1 P23946 1/20 0.41
F7 P08709 1/20 0.41
LTA4H P09960 1/20 0.41
F3 P13726 1/20 0.41
TYR P14679 1/20 0.41
USP2 O75604 1/20 0.41
GAA P10253 1/20 0.41
ALOX15 P16050 1/20 0.41
RAD51 Q06609 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
F2 P00734 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL4416713 0.82 EHMT2 (0.60) AOC3EHMT2NPC1CYP2A6USP2
SCHEMBL2530865 0.79 GPR84 (0.67) GPR84CSNK2A1NPC1AHRNR4A2
SCHEMBL4426171 0.75 TYR (0.50) GPR84CSNK2A1NPC1AHRNR4A2
SCHEMBL5039855 0.75
SCHEMBL23714123 0.74 GPR84 (0.61) GPR84CSNK2A1NPC1AHRNR4A2
SCHEMBL3131647 0.73 GPR84 (0.54) GPR84CSNK2A1NPC1AHRNR4A2
SCHEMBL31481612 0.73 GPR84 (0.54) GPR84CSNK2A1NPC1AHRNR4A2
SCHEMBL3731175 0.71 GPR84 (0.64) GPR84CSNK2A1NPC1AHRNR4A2
SCHEMBL12219474 0.71 KIF11 (0.56) GPR84CSNK2A1NPC1AHRNR4A2
SCHEMBL4420798 0.69 CYP2A6 (0.46) GPR84CSNK2A1NPC1AHRNR4A2

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 376/4885GPR84 3974/4885EHMT2 806/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 AOC3 376/4885GPR84 3974/4885EHMT2 806/4885

“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.