SCHEMBL7155802

SCHEMBL7155802

CC(O)Cc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.51
ALOX12 P18054 1/20 0.51
TYR P14679 2/20 0.42
PDK1 Q15118 1/20 0.42
SNCA P37840 2/20 0.42
BACE1 P56817 2/20 0.41
EGFR P00533 2/20 0.40
CYP1A2 P05177 1/20 0.40
FBP1 P09467 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
MAPT P10636 1/20 0.39
AR P10275 1/20 0.38
GPR35 Q9HC97 1/20 0.37

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
SCHEMBL28192853 0.87 ALOX15 (0.51) ALOX15ALOX12TYRSNCABACE1
SCHEMBL11266099 0.84 ALOX15 (0.44) ALOX15ALOX12PDK1SNCABACE1
SCHEMBL9281293 0.81 PDK1 (0.55) ALOX15ALOX12PDK1SNCABACE1
SCHEMBL9459079 0.78 ALDH1A1 (0.55)
SCHEMBL10522565 0.78 SNCA (0.46) ALOX15ALOX12TYRPDK1SNCA
SCHEMBL6359410 0.78 ALDH1A1 (0.55)
SCHEMBL9459074 0.78 ALDH1A1 (0.55)
SCHEMBL9383321 0.78 SNCA (0.48) ALOX15ALOX12PDK1SNCABACE1
SCHEMBL385176 0.77 GRIA2 (0.51) ALOX15CYP1A2MAPT
SCHEMBL385177 0.77 GRIA2 (0.51) ALOX15CYP1A2MAPT

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-20030217418-A1 Hair dye composition and method for producing same CHEMICAL COMPOUNDS INCORPORATED 2003-11-27 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 (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-20030217418-A1 Hair dye composition and method for producing same KRT18, IK, MKI67 ALOX15 3245/4885ALOX12 3201/4885TYR 62/4885

“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.