SCHEMBL22299503

SCHEMBL22299503

CC(C)c1cc(-c2ccc(O)cc2O)cc(-c2ccc(O)cc2O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
TYR P14679 4/20 0.42
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
TRPA1 O75762 1/20 0.39
PTGS1 P23219 1/20 0.39
CACNA1C Q13936 1/20 0.39
ESR2 Q92731 3/20 0.39
MAOA P21397 2/20 0.39
MAOB P27338 2/20 0.39
ESR1 P03372 2/20 0.39
UGT1A1 P22309 1/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
HIF1A Q16665 1/20 0.38
MIF P14174 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 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
SCHEMBL8061020 0.82 RXRA (0.41) ALOX5TYRGABRA1GABRB2TRPA1
SCHEMBL22245944 0.80 GABRA1 (0.44) ALOX5TYRGABRA1GABRB2TRPA1
SCHEMBL8705685 0.77 GABRA1 (0.50) ALOX5TYRGABRA1GABRB2TRPA1
SCHEMBL20690490 0.77 ALOX5 (0.56) ALOX5ESR2ESR1ALDH1A1
SCHEMBL20761656 0.77 ESR1 (0.64) ALOX5ESR2ESR1PDCD1CD274
SCHEMBL28893540 0.76 ALDH1A1 (0.50) TYRGABRA1GABRB2TRPA1PTGS1
SCHEMBL10593081 0.76 TRPA1 (0.53) ALOX5TYRGABRA1GABRB2TRPA1
SCHEMBL22245950 0.75 ALOX5 (0.46) ALOX5TYRTRPA1PTGS1CACNA1C
SCHEMBL13412013 0.73 ALOX5 (0.62) ALOX5TYRPTGS1ESR2MAOA
Hydroquinone SCHEMBL10526088 0.73 ESR1 (0.57) TYRGABRA1GABRB2TRPA1PTGS1

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-20200247998-A1 DYES, DYE-SENSITIZED SOLAR CELLS, AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MISSISSIPPI 2020-08-06 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 (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-20200247998-A1 DYES, DYE-SENSITIZED SOLAR CELLS, AND METHODS OF MAKING AND USING THE SAME RBP4, ALDH1A2, ADH4 ALOX5 1209/4885TYR 8/4885GABRA1 3890/4885

“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.