SCHEMBL7792575

SCHEMBL7792575

Nc1cc(OCCO)cc(OCCO)c1N

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
RECQL P46063 1/20 0.41
LOX P28300 1/20 0.36
AOC3 Q16853 1/20 0.36
NR1I2 O75469 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 1/20 0.34
APP P05067 1/20 0.33
IDO1 P14902 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
PRSS1 P07477 5/20 0.33
GAA P10253 1/20 0.33
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
CYP3A4 P08684 1/20 0.32
SMN1; SMN2 Q16637 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 0.82 KMT2A (0.38) ALDH1A1RECQLLOXAOC3APP
SCHEMBL25720549 0.79 CYP1A2 (0.50) ALDH1A1CA12CA1CA9GAA
SCHEMBL7516991 0.79 TSHR (0.42) ALDH1A1RECQLNR1I2SLC6A2SLC6A4
SCHEMBL6829506 0.77 PRSS1 (0.47) ALDH1A1RECQLNR1I2SLC6A2SLC6A4
SCHEMBL7042018 0.77 ALDH1A1 (0.45) ALDH1A1RECQLNR1I2SLC6A2SLC6A4
SCHEMBL3916117 0.76 ALDH1A1 (0.43) ALDH1A1RECQLLOXAOC3NR1I2
SCHEMBL13753698 0.74 PRSS1 (0.42) ALDH1A1RECQLLOXAOC3IDO1
SCHEMBL9522785 0.74 LOX (0.42) ALDH1A1RECQLLOXAOC3IDO1
SCHEMBL5378158 0.73 ALDH1A1 (0.59) ALDH1A1RECQLNR1I2IDO1CA12
SCHEMBL21048196 0.73 APP (0.44) ALDH1A1APPPRSS1GAACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same WELLA INTERNATIONAL OPERATIONS SWITZERLAND SARL (CH) 2001-12-27 US claimed

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-20010054207-A1 p-aminophenol derivative compounds and dye compositions containing same KRT18, AASDHPPT, S100P ALDH1A1 99/4885RECQL 3417/4885LOX 180/4885

“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.