SCHEMBL4424876

SCHEMBL4424876

Nc1cc2ccc3cc[nH]c3c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 1/20 0.41
TNF P01375 1/20 0.38
RIPK1 Q13546 1/20 0.38
AOC3 Q16853 2/20 0.38
AHR P35869 4/20 0.36
PDPK1 O15530 1/20 0.35
IKBKB O14920 4/20 0.33
CHUK O15111 4/20 0.33
BRD4 O60885 1/20 0.32
TAF1 P21675 1/20 0.32
BRPF1 P55201 1/20 0.32
CREBBP Q92793 1/20 0.32
CECR2 Q9BXF3 1/20 0.32
BRD9 Q9H8M2 1/20 0.32
KEAP1 Q14145 1/20 0.32
CMA1 P23946 1/20 0.32
TYR P14679 1/20 0.32
REN P00797 1/20 0.31
CCNE2 O96020 1/20 0.31
CDK4 P11802 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
SCHEMBL4417853 0.84 AOC3 (0.48) AOC3
SCHEMBL29591462 0.76 TNF (0.54) PIM3TNFRIPK1AHRPDPK1
SCHEMBL1374474 0.76 TNF (0.54) PIM3TNFRIPK1AHRPDPK1
SCHEMBL4417261 0.75 PIM3 (0.41) PIM3TNFRIPK1AHRPDPK1
SCHEMBL4419322 0.75 PIM3 (0.41) PIM3TNFRIPK1AHRBRD4
SCHEMBL4417359 0.72 AOC3 (0.39) AOC3
SCHEMBL4426876 0.68 CCR8 (0.37) PIM3TNFRIPK1AHRPDPK1
SCHEMBL4430216 0.67 AOC3 (0.52) AOC3AHRCMA1TYR
SCHEMBL11060967 0.67 EGFR (0.43) PIM3TNFRIPK1AHRPDPK1
SCHEMBL3433646 0.67 ALDH1A1 (0.53) AOC3KEAP1CDK4CCND1

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 PIM3 3507/4885TNF 3353/4885RIPK1 3512/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 PIM3 3507/4885TNF 3353/4885RIPK1 3512/4885

“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.