SCHEMBL4418345

SCHEMBL4418345

Cc1c[nH]c2ccc3[nH]cc(C)c3c12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
GPR84 Q9NQS5 4/20 0.45
HTR1D P28221 2/20 0.38
HTR1B P28222 1/20 0.38
P2RX7 Q99572 1/20 0.35
HTR2A P28223 5/20 0.33
ATAD2 Q6PL18 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
FFAR1 O14842 1/20 0.31
NOTUM Q6P988 1/20 0.31
MAOA P21397 2/20 0.31
HTR2C P28335 2/20 0.31
IDO1 P14902 1/20 0.31
HTR2B P41595 1/20 0.31
C5AR1 P21730 1/20 0.30
HTR6 P50406 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
SCHEMBL16727225 0.81 GPR84 (0.41) ATMGPR84HTR1DHTR1BHTR2A
SCHEMBL12733143 0.81 P2RX7 (0.42) ATMGPR84HTR1DHTR1BP2RX7
SCHEMBL1224614 0.79 GPR84 (0.64) ATMGPR84HTR2AKDM4EMEN1
SCHEMBL4429368 0.79 ATM (0.34) ATMGPR84HTR1DHTR1B
SCHEMBL4419977 0.79 ATM (0.34) ATMGPR84HTR1DHTR1B
SCHEMBL9333774 0.79 MAOA (0.38) ATMGPR84HTR1DHTR1BP2RX7
SCHEMBL31386055 0.79 ATM (0.38) ATMGPR84HTR1DHTR1BP2RX7
SCHEMBL22328046 0.78 ATM (0.36) ATMGPR84HTR1DHTR1BKDM4E
SCHEMBL22924133 0.78 GPR84 (0.39) ATMGPR84HTR1DHTR1BP2RX7
SCHEMBL12588447 0.78 P2RX7 (0.40) ATMGPR84HTR1DHTR1BP2RX7

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 ATM 2846/4885GPR84 3974/4885HTR1D 3993/4885
US-20080134450-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, KRTCAP2 ATM 2846/4885GPR84 3974/4885HTR1D 3993/4885

“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.