SCHEMBL21048210

SCHEMBL21048210

CCOCCOCCOc1cc(N)cc(N)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 9/20 0.42
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 2/20 0.41
USP2 O75604 2/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
HTT P42858 1/20 0.41
CASP7 P55210 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 1/20 0.35
NPC1 O15118 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
SCHEMBL21048193 0.98 NCF1 (0.43) NCF1ALDH1A1KDM4EMAPTGAA
SCHEMBL21048194 0.86 MAPT (0.38) NCF1ALDH1A1KDM4EMAPTGAA
SCHEMBL21048196 0.83 APP (0.44) NCF1ALDH1A1KDM4EMAPTGAA
SCHEMBL21048188 0.80 MAPT (0.41) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL1231708 0.79 MAPT (0.49) NCF1ALDH1A1KDM4EMAPTGAA
SCHEMBL9664527 0.77 MAPT (0.50) NCF1ALDH1A1KDM4EMAPTGAA
SCHEMBL21048190 0.76 KDM4E (0.43) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL21048195 0.74 KMT2A (0.38) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL6017004 0.74 NCF1 (0.55) NCF1ALDH1A1MAPTL3MBTL1LMNA
SCHEMBL3372422 0.74 NCF1 (0.55) NCF1ALDH1A1MAPTL3MBTL1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 US claimed
US-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US disclosed
US-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives HENKEL AG & CO. KGAA (DE) 2020-04-14 US disclosed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 US disclosed
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES HENKEL AG & CO. KGAA (DE) 2019-06-06 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-10617618-B2 Agent for oxidative dyeing of hair containing anisole derivatives KRT18, COXFA4L2, KAT5 NCF1 984/4885ALDH1A1 96/4885KDM4E 905/4885
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES KRT18, COXFA4L2, KAT5 NCF1 984/4885ALDH1A1 96/4885KDM4E 905/4885

“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.