SCHEMBL4859898

SCHEMBL4859898

OCCN(CCO)c1ccc2c(c1)Sc1cc(N(CCO)CCO)ccc1N2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOX1 Q9Y5S8 6/20 0.41
▸ SNCA P37840 7/20 0.40
▸ MAPT P10636 7/20 0.38
▸ KMT2A Q03164 6/20 0.38
▸ MEN1 O00255 4/20 0.38
▸ LMNA P02545 3/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ GAA P10253 4/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ TDP1 Q9NUW8 4/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ BCHE P06276 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
SCHEMBL12592413 0.83 SNCA (0.43) NOX1SNCAMAPTKMT2AMEN1
SCHEMBL11763196 0.80 SNCA (0.41) NOX1SNCAMAPTKMT2AMEN1
SCHEMBL3026252 0.80 NOX1 (0.35) NOX1SNCAMAPTKMT2AMEN1
SCHEMBL12812986 0.79 SNCA (0.47) NOX1SNCAMAPTKMT2AMEN1
SCHEMBL1470932 0.79 SNCA (0.40) NOX1SNCAMAPTKMT2AMEN1
SCHEMBL972682 0.79 SNCA (0.46) NOX1SNCAMAPTKMT2AMEN1
Hydrochloric Acid SCHEMBL3035612 0.79 NOX1 (0.35) NOX1SNCAMAPTKMT2AMEN1
SCHEMBL1472499 0.78 SNCA (0.39) NOX1SNCAMAPTKMT2AMEN1
SCHEMBL1472458 0.78 SNCA (0.39) NOX1SNCAMAPTKMT2AMEN1
SCHEMBL5724694 0.78 MAPT (0.39) NOX1SNCAMAPTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1607393-A1 Compositions comprising hydroalkylated direct dyestuffs, process for implementing and use L'OREAL (FR) 2005-12-21 — — EP claimed
US-7326258-B2 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2008-02-05 — — US disclosed
US-20050278872-A1 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof L'OREAL S.A. (FR) 2005-12-22 — — US disclosed
EP-1607393-A1 Compositions comprising hydroalkylated direct dyestuffs, process for implementing and use L'OREAL (FR) 2005-12-21 — — EP 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 (1 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-20050278872-A1 Compositions comprising hydroxyalkyl direct dyes, implementation processes and uses thereof KRT18, DSG1, CUTA NOX1 3733/4885SNCA 4384/4885MAPT 1118/4885

“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.

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