SCHEMBL4423969

SCHEMBL4423969

Nc1c2cc[nH]c2cc2[nH]ccc12

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.39
AHR P35869 5/20 0.38
RHEB Q15382 5/20 0.36
HTR6 P50406 1/20 0.36
GPR84 Q9NQS5 1/20 0.34
PARP1 P09874 1/20 0.34
RECQL P46063 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NR4A2 P43354 2/20 0.33
MAPK1 P28482 1/20 0.33
CYP2A6 P11509 1/20 0.33
CMA1 P23946 1/20 0.33
F7 P08709 1/20 0.33
LTA4H P09960 1/20 0.33
F3 P13726 1/20 0.33
ASH1L Q9NR48 1/20 0.33

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
SCHEMBL4420517 0.80 GPR84 (0.38) AHRGPR84NR4A2CYP2A6CMA1
SCHEMBL4420792 0.78 RHEB (0.32) ALDH1A1RHEB
SCHEMBL4430691 0.74 TYR (0.48) ALDH1A1AHRRHEBGPR84PARP1
SCHEMBL2080141 0.73 RHEB (0.37) ALDH1A1AHRRHEBHTR6PARP1
SCHEMBL4420615 0.72 ALDH1A1 (0.37) ALDH1A1AHRRHEBHTR6PARP1
SCHEMBL20461937 0.72 PARP1 (0.40) AHRRHEBHTR6GPR84PARP1
SCHEMBL30949509 0.72 AHR (0.52) AHRRHEBHTR6PARP1RECQL
SCHEMBL4419893 0.70 CCR8 (0.39) AHRPARP1RECQLTDP1
SCHEMBL17369082 0.70 RHEB (0.50) ALDH1A1AHRRHEBHSD17B10NR4A2
SCHEMBL5704871 0.70 RHEB (0.54) ALDH1A1AHRRHEBTDP1HSD17B10

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 ALDH1A1 657/4885AHR 988/4885RHEB 4084/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ALDH1A1 657/4885AHR 988/4885RHEB 4084/4885

“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.