SCHEMBL4549102

SCHEMBL4549102

Cc1ccc(C2=Cc3ccc(O)cc3OC2)c(O)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.55
NR1H4 Q96RI1 1/20 0.41
RARA P10276 3/20 0.37
RARG P13631 3/20 0.37
MIF P14174 2/20 0.36
MAOB P27338 2/20 0.36
MAOA P21397 1/20 0.36
TRPA1 O75762 1/20 0.35
CYP3A4 P08684 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
ESRRB O95718 3/20 0.34
ESRRA P11474 3/20 0.34
RARB P10826 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL4320833 0.89 TYR (0.57) TYRNR1H4RARARARGMIF
SCHEMBL29573454 0.89 TYR (0.57) TYRNR1H4RARARARGMIF
SCHEMBL676933 0.82 TYR (0.45) TYRNR1H4RARARARGMIF
SCHEMBL7052327 0.79 TYR (0.48) TYRNR1H4MIFMAOBMAOA
SCHEMBL4549085 0.78 TYR (0.39) TYRRARARARGMAOBRARB
SCHEMBL571483 0.78 TYR (0.54) TYRNR1H4MIFMAOBCYP3A4
Idronoxil SCHEMBL29353213 0.74 ESR2 (0.49) TYRNR1H4RARARARGMIF
Idronoxil SCHEMBL149612 0.74 ESR2 (0.49) TYRNR1H4RARARARGMIF
SCHEMBL13704162 0.74 TYR (0.38) TYRNR1H4MAOATRPA1CYP3A4
SCHEMBL30628176 0.73 TYR (0.47) TYRNR1H4RARARARGMAOB

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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith THE UNIVERSITY OF TOLEDO 2012-05-10 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-20120115942-A1 Methods for Synthesizing Glycinols, Glyceollins I and II and Isoflavenes and Chromanes Using A Wittig Reaction, and Compositions Made Therewith UGGT1, GCG, UGT8 TYR 283/4885NR1H4 1624/4885RARA 3594/4885

“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.