SCHEMBL4417847

SCHEMBL4417847

Cc1c[nH]c2cc3[nH]cc(C)c3cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.52
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
PIM2 Q9P1W9 1/20 0.40
HMBS P08397 1/20 0.39
HTR2A P28223 2/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TDO2 P48775 2/20 0.33
NR4A2 P43354 1/20 0.32
GPR84 Q9NQS5 4/20 0.32
ATAD2 Q6PL18 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
HTR1D P28221 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL12657284 0.92 ATM (0.54) ATMPIM1PIM3PIM2HMBS
SCHEMBL14606160 0.86 ATM (0.50) ATMPIM1PIM3PIM2HMBS
SCHEMBL435044 0.82 SRC (0.48) ATMPIM1PIM3PIM2HTR2A
SCHEMBL29638857 0.82 SRC (0.48) ATMPIM1PIM3PIM2HTR2A
SCHEMBL16122568 0.80 ATM (0.45) ATMPIM1PIM3PIM2PDE4A
SCHEMBL17429815 0.79 GRIN2D (0.45) ATMPIM1PIM3PIM2PDE4A
SCHEMBL16727198 0.79 GPR84 (0.44) ATMPIM1PIM3PIM2HTR2A
SCHEMBL16727224 0.79 IDO1 (0.49) ATMPIM1PIM3PIM2HTR2A
SCHEMBL10256350 0.79 ALDH1A1 (0.47) ATMPIM1PIM3PIM2HTR2A
SCHEMBL1253450 0.79 ATM (0.43) ATMPIM1PIM3PIM2HTR2A

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 ATM 2846/4885PIM1 3666/4885PIM3 3507/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ATM 2846/4885PIM1 3666/4885PIM3 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.