SCHEMBL4420517

SCHEMBL4420517

Nc1c2cc[nH]c2cc2cc[nH]c12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.38
NPC1 O15118 1/20 0.37
AHR P35869 7/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
TRPA1 O75762 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
ADK P55263 1/20 0.37
IKBKB O14920 4/20 0.37
CHUK O15111 4/20 0.37
NR4A2 P43354 2/20 0.36
CYP2A6 P11509 1/20 0.36
CMA1 P23946 1/20 0.36
F7 P08709 1/20 0.36
LTA4H P09960 1/20 0.36
F3 P13726 1/20 0.36

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
SCHEMBL4423969 0.80 ALDH1A1 (0.39) GPR84AHRNR4A2CYP2A6CMA1
SCHEMBL4419394 0.78 TYR (0.48) GPR84NPC1AHRCA1CA2
SCHEMBL4420007 0.74 CCR8 (0.40) AHR
SCHEMBL4420615 0.72 ALDH1A1 (0.37) AHRCHUKPIM3
SCHEMBL4426876 0.72 CCR8 (0.37) AHRIKBKBCHUKPIM3GFER
SCHEMBL4420813 0.69 DYRK1A (0.31) IKBKBCHUKCYP2A6
SCHEMBL4424091 0.69 DYRK1A (0.31) IKBKBCHUKCYP2A6
SCHEMBL15497998 0.69 BRD4 (0.33) GPR84NPC1AHRIKBKBCHUK
SCHEMBL2530865 0.69 GPR84 (0.67) GPR84NPC1AHRCA1CA2
SCHEMBL4418812 0.68 GPR84 (0.44) GPR84NPC1AHRCA1CA2

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 GPR84 3974/4885NPC1 4617/4885AHR 988/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 GPR84 3974/4885NPC1 4617/4885AHR 988/4885

“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.