SCHEMBL3874064

SCHEMBL3874064

Cn1c2ccccc2c2cc(O)cc(N)c21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.48
ALKBH5 Q6P6C2 1/20 0.46
FTO Q9C0B1 1/20 0.46
PABPC1 P11940 1/20 0.45
LIMK1 P53667 1/20 0.43
KDM4E B2RXH2 8/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 5/20 0.41
HSD17B10 Q99714 4/20 0.41
GLA P06280 2/20 0.41
GAA P10253 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP2C19 P33261 1/20 0.39
AHR P35869 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL27653075 0.84 RET (0.46) GPR3ALKBH5FTOPABPC1LIMK1
SCHEMBL3885361 0.83 GPR3 (0.52) GPR3ALKBH5FTOKDM4EALDH1A1
SCHEMBL3882799 0.83 GPR3 (0.52) GPR3ALKBH5FTOPABPC1LIMK1
SCHEMBL3881375 0.82 CA12 (0.32) LIMK1
SCHEMBL27653078 0.80 MAPT (0.43) GPR3ALKBH5FTOPABPC1LIMK1
SCHEMBL3878043 0.78 MAPT (0.44) KDM4EALDH1A1HPGDHSD17B10GAA
SCHEMBL6286427 0.77 ALKBH5 (0.63) GPR3ALKBH5FTOPABPC1LIMK1
SCHEMBL3875323 0.77 GPR3 (0.48) GPR3ALKBH5FTOPABPC1LIMK1
SCHEMBL3876246 0.77 PABPC1 (0.49) GPR3PABPC1KDM4EALDH1A1HPGD
SCHEMBL3883800 0.75 ALKBH5 (0.51) GPR3ALKBH5FTOPABPC1LIMK1

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-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

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 GPR3 4420/4885ALKBH5 1118/4885FTO 2151/4885
US-20080098535-A1 Keratin Dyeing Compounds, Keratin Dyeing Compositions Containing Them, And Use Thereof KRT18, CKMT1A; CKMT1B, TUBB6 GPR3 4420/4885ALKBH5 1118/4885FTO 2151/4885

“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.