SCHEMBL4420798

SCHEMBL4420798

Cc1cc2cc3cc[nH]c3cc2[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 4/20 0.46
KEAP1 Q14145 1/20 0.46
GPR84 Q9NQS5 1/20 0.45
AXL P30530 1/20 0.43
CSNK2A1 P68400 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
AHR P35869 6/20 0.39
NR4A2 P43354 2/20 0.39
CMA1 P23946 1/20 0.39
F7 P08709 1/20 0.39
LTA4H P09960 1/20 0.39
F3 P13726 1/20 0.39
TYR P14679 1/20 0.39
USP2 O75604 1/20 0.39
GAA P10253 1/20 0.39
ALOX15 P16050 1/20 0.39
RAD51 Q06609 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
SCHEMBL4430051 0.82 CYP2A6 (0.54) CYP2A6KEAP1AXLGAA
SCHEMBL3731175 0.80 GPR84 (0.64) CYP2A6GPR84CSNK2A1MEN1POLB
2-Methylindole SCHEMBL2683930 0.77 AHR (0.63) CYP2A6KEAP1AXLAHRNR4A2
SCHEMBL9724468 0.76 TLR8 (0.43) AXLMEN1POLBMAPK1KMT2A
SCHEMBL12123168 0.75 CYP2A6 (0.56) CYP2A6KEAP1AXLGAA
SCHEMBL23714123 0.73 GPR84 (0.61) CYP2A6GPR84CSNK2A1MEN1POLB
SCHEMBL2530865 0.72 GPR84 (0.67) CYP2A6GPR84CSNK2A1MEN1POLB
SCHEMBL5424831 0.72 KDM4E (0.55) CYP2A6KEAP1ENPP2NPC1
2-Methylindole SCHEMBL29534949 0.72 PDGFRB (0.51) CYP2A6KEAP1MEN1POLBKMT2A
SCHEMBL5040004 0.72

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 7 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
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 CYP2A6 405/4885KEAP1 191/4885GPR84 3974/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CYP2A6 405/4885KEAP1 191/4885GPR84 3974/4885

“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.