SCHEMBL4426876

SCHEMBL4426876

Nc1cc2cc[nH]c2c2[nH]ccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR8 P51685 1/20 0.37
KMT2A Q03164 1/20 0.35
PIM3 Q86V86 2/20 0.35
PARP1 P09874 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
IKBKB O14920 5/20 0.34
CHUK O15111 4/20 0.34
JAK2 O60674 1/20 0.33
RPS6KA3 P51812 1/20 0.33
MELK Q14680 1/20 0.33
STK24 Q9Y6E0 1/20 0.33
AHR P35869 1/20 0.33
BTK Q06187 1/20 0.33
DYRK1A Q13627 1/20 0.32
PDPK1 O15530 1/20 0.32
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
TNF P01375 1/20 0.31
RIPK1 Q13546 1/20 0.31

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
SCHEMBL4420556 0.75 PIM3 (0.40) CCR8KMT2APIM3JAK2RPS6KA3
SCHEMBL4424880 0.74 TYR (0.38) CCR8KMT2APIM3PARP1IKBKB
SCHEMBL4420625 0.74 CSNK2A1 (0.32) PARP1JAK2RPS6KA3DYRK1A
SCHEMBL4430173 0.74 MAOA (0.31) MAOAMAOB
SCHEMBL4420517 0.72 GPR84 (0.38) PIM3IKBKBCHUKAHRGFER
SCHEMBL2078430 0.72 PARP1 (0.33) CCR8KMT2APIM3PARP1RECQL
SCHEMBL8135216 0.72 PARP1 (0.42) PIM3PARP1RECQLTDP1IKBKB
SCHEMBL5271973 0.72 TDP1 (0.43) CCR8KMT2APARP1RECQLTDP1
SCHEMBL16815127 0.71 IKBKB (0.35) IKBKBCHUKJAK2RPS6KA3MELK
SCHEMBL15388774 0.70 AHR (0.47) IKBKBCHUKJAK2RPS6KA3MELK

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 CCR8 4339/4885KMT2A 1797/4885PIM3 3507/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 CCR8 4339/4885KMT2A 1797/4885PIM3 3507/4885

“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.