SCHEMBL3885459

SCHEMBL3885459

Cn1c2cccc(N)c2c2c(O)cccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
HTT P42858 1/20 0.53
ALOX15 P16050 2/20 0.41
TSHR P16473 2/20 0.41
HTR2A P28223 6/20 0.39
HTR2C P28335 6/20 0.39
HTR2B P41595 5/20 0.39
TLR8 Q9NR97 2/20 0.39
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
NR4A1 P22736 1/20 0.36
PABPC1 P11940 1/20 0.36
GPR3 P46089 1/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
PLA2G2A P14555 1/20 0.35

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
SCHEMBL3872839 0.88 GPR3 (0.44) MAPTHTTALOX15TSHRTLR8
SCHEMBL3875044 0.88 MAPT (0.63) MAPTHTTALOX15TSHRHTR2A
SCHEMBL27673094 0.84 MAPT (0.46) MAPTHTTALOX15TSHRTLR8
SCHEMBL3887963 0.79 TLR8 (0.38) MAPTHTTALOX15TSHRHTR2A
SCHEMBL27673093 0.76 RET (0.42) MAPTHTTHPGDMEN1KMT2A
SCHEMBL2098721 0.74 MAPT (0.74) MAPTHTTALOX15TSHRGPR3
SCHEMBL3875165 0.74 GPR3 (0.58) MAPTHTTTSHRPABPC1GPR3
SCHEMBL8143486 0.74 MAPT (0.53) MAPTHTTALOX15TSHRHTR2A
SCHEMBL18975333 0.71 CYP3A4 (0.44) MAPTHTTTSHRPABPC1GPR3
SCHEMBL30845313 0.70 TSHR (0.52) MAPTALOX15TSHRHTR2AAURKA

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 MAPT 420/4885HTT 3227/4885ALOX15 1141/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 MAPT 420/4885HTT 3227/4885ALOX15 1141/4885

“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.