SCHEMBL3887963

SCHEMBL3887963

Nc1cccc2c1c1c(O)cccc1n2CCO

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.38
PLA2G2A P14555 2/20 0.37
TSHR P16473 3/20 0.36
ALOX15 P16050 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 2/20 0.36
HTR2B P41595 2/20 0.36
SLC5A2 P31639 1/20 0.35
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
AURKA O14965 1/20 0.34
AURKB Q96GD4 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TDO2 P48775 1/20 0.33
POLB P06746 1/20 0.33
ATM Q13315 1/20 0.33
NR4A1 P22736 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
SCHEMBL3885265 0.91 TSHR (0.41) TLR8TSHRSLC5A2MAPTHTT
SCHEMBL3881084 0.89 HTR2A (0.41) TLR8PLA2G2ATSHRALOX15HTR2A
SCHEMBL27653149 0.86 BRD4 (0.36) TLR8PLA2G2ATSHRALOX15SLC5A2
SCHEMBL27653148 0.80 WEE1 (0.38) TSHRHTT
SCHEMBL3877435 0.80 MEN1 (0.45) TSHRMAPTALDH1A1TDO2POLB
SCHEMBL3885459 0.79 MAPT (0.53) TLR8PLA2G2ATSHRALOX15HTR2A
SCHEMBL3873857 0.78 MEN1 (0.46) TSHRALOX15MAPTHTTALDH1A1
SCHEMBL3872751 0.72 WEE1 (0.38) TSHRMAPTHTTTDO2POLB
SCHEMBL3887845 0.72 WEE1 (0.38) TSHRMAPTHTTTDO2POLB
SCHEMBL27673152 0.70 WEE1 (0.42) MAPTPOLBATM

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US claimed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 US claimed
US-7491245-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2009-02-17 US disclosed
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof GLENN ROBERT W JR 2008-05-01 US disclosed
US-7331997-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-02-19 US disclosed
EP-1735059-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-12-27 EP disclosed
WO-2005099656-A2 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-10-27 WO disclosed
US-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-06 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-20050217038-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, TUBB6 TLR8 4265/4885PLA2G2A 4281/4885TSHR 4709/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 TLR8 4265/4885PLA2G2A 4281/4885TSHR 4709/4885

“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.