SCHEMBL21048196

SCHEMBL21048196

Nc1cc(N)c(N)c(OCCOCCO)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.44
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPK1 P28482 2/20 0.34
TSHR P16473 1/20 0.34
USP2 O75604 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CASP1 P29466 2/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
CASP7 P55210 1/20 0.34
ATM Q13315 1/20 0.34
NCF1 P14598 5/20 0.33
PRSS1 P07477 2/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL21048195 0.89 KMT2A (0.38) APPMEN1KMT2AMAPK1USP2
SCHEMBL21048210 0.83 NCF1 (0.42) MEN1KMT2AMAPK1USP2ALDH1A1
SCHEMBL21048194 0.83 MAPT (0.38) MEN1KMT2AUSP2ALDH1A1CASP1
SCHEMBL21048193 0.81 NCF1 (0.43) MEN1KMT2AMAPK1USP2ALDH1A1
SCHEMBL5792387 0.79 APP (0.51) APPMEN1KMT2AMAPK1USP2
SCHEMBL16807228 0.79 MEN1 (0.57) APPMEN1KMT2AUSP2ALDH1A1
SCHEMBL16807232 0.79 MEN1 (0.57) APPMEN1KMT2AUSP2ALDH1A1
SCHEMBL2791672 0.79 APP (0.51) APPMEN1KMT2AMAPK1USP2
SCHEMBL21081396 0.77 MAPT (0.32) MEN1KMT2AMAPK1USP2ALDH1A1
SCHEMBL21048206 0.77 HTR1D (0.44) TSHRALDH1A1KDM4ETP53POLB

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 3 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-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 APP 3043/4885MEN1 4797/4885KMT2A 790/4885
US-20190167551-A1 AGENT FOR OXIDATIVE DYEING OF HAIR CONTAINING ANISOLE DERIVATIVES KRT18, COXFA4L2, KAT5 APP 3043/4885MEN1 4797/4885KMT2A 790/4885

“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.