SCHEMBL4873547

SCHEMBL4873547

CNc1ccc(O)cc1.CNc1ccc(O)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.76
CYP3A4 P08684 3/20 0.76
HPGD P15428 2/20 0.76
ALOX15 P16050 2/20 0.76
RECQL P46063 2/20 0.76
HIF1A Q16665 2/20 0.76
HSD17B10 Q99714 2/20 0.76
THRB P10828 2/20 0.76
TP53 P04637 1/20 0.76
CASP1 P29466 1/20 0.76
APP P05067 8/20 0.73
MAPT P10636 4/20 0.50
CA1 P00915 4/20 0.50
CA2 P00918 4/20 0.50
CA12 O43570 3/20 0.50
TSHR P16473 2/20 0.50
MEN1 O00255 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL84826 1.00
Hydroquinone SCHEMBL9788155 1.00 ALDH1A1 (0.76) ALDH1A1CYP3A4HPGDALOX15RECQL
Hydroquinone SCHEMBL29354253 1.00 ALDH1A1 (0.76) ALDH1A1CYP3A4HPGDALOX15RECQL
Hydrogen Sulfide SCHEMBL28104921 0.97 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDALOX15RECQL
SCHEMBL11344869 0.97 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDALOX15RECQL
SCHEMBL11330710 0.97 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDALOX15RECQL
Bromide SCHEMBL3362685 0.97 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDALOX15RECQL
Hydrochloric Acid SCHEMBL8724196 0.97 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDALOX15RECQL
Methane SCHEMBL28193938 0.97 ALDH1A1 (0.73) ALDH1A1CYP3A4HPGDALOX15RECQL
SCHEMBL11321909 0.94 ALDH1A1 (0.70) ALDH1A1CYP3A4HPGDALOX15RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7431742-B2 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY (US) 2008-10-07 US disclosed
US-20070251025-A1 Hair coloring kits and methods of use thereof THE PROCTER & GAMBLE COMPANY 2007-11-01 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-20070251025-A1 Hair coloring kits and methods of use thereof COXFA4L2, SQOR, GPX4 ALDH1A1 175/4885CYP3A4 532/4885HPGD 402/4885

“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.