SCHEMBL4556549

SCHEMBL4556549

CCCCOc1ccc(C)c(OCC(=O)c2ccc(OC)cc2OCCCC)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 3/20 0.52
THRB P10828 3/20 0.52
RXFP1 Q9HBX9 1/20 0.48
TDP1 Q9NUW8 3/20 0.48
GAA P10253 1/20 0.48
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
KMT2A Q03164 4/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MEN1 O00255 3/20 0.44
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
USP2 O75604 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44
SENP6 Q9GZR1 1/20 0.44
POLB P06746 1/20 0.42

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
SCHEMBL4557812 0.90 THRA (0.47) THRATHRBRXFP1TDP1GAA
SCHEMBL4557062 0.85 THRA (0.50) THRATHRBRXFP1TDP1HDAC3
SCHEMBL27355171 0.81 THRA (0.54) THRATHRBTDP1HDAC3HDAC1
SCHEMBL12301282 0.79 CYSLTR2 (0.45) THRATHRBTDP1GAAHDAC3
SCHEMBL10717739 0.79 TSHR (0.46) GAAKMT2ARAB9ANPC1MEN1
SCHEMBL7514252 0.79 THRA (0.62) THRATHRBKMT2AMEN1ALDH1A1
SCHEMBL4556556 0.79 THRA (0.52) THRATHRBRXFP1TDP1HDAC3
SCHEMBL4304889 0.77 PPARG (0.55) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL4556784 0.76 MEN1 (0.46) THRATHRBRXFP1KMT2AMEN1
SCHEMBL13784819 0.76 THRA (0.47) THRATHRBTDP1MAPTL3MBTL1

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 THRA 3562/4885THRB 3674/4885RXFP1 1958/4885

“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.