SCHEMBL4556784

SCHEMBL4556784

CCCCOc1ccc(CO)c(OCC(=O)c2ccc(OCOC)cc2OCCCC)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
KMT2A Q03164 1/20 0.46
THRA P10827 6/20 0.46
THRB P10828 6/20 0.46
TSHR P16473 1/20 0.46
RXFP1 Q9HBX9 1/20 0.40
PLA2G4B P0C869 1/20 0.36
CYSLTR2 Q9NS75 1/20 0.36
CYSLTR1 Q9Y271 1/20 0.36
PPARD Q03181 2/20 0.36
PTPN11 Q06124 1/20 0.36
PLA2G2A P14555 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL4557062 0.91 THRA (0.50) MEN1ALDH1A1KMT2ATHRATHRB
SCHEMBL4557812 0.86 THRA (0.47) MEN1ALDH1A1KMT2ATHRATHRB
SCHEMBL1961045 0.81 MAOB (0.49) ALDH1A1
SCHEMBL4556801 0.81 TSHR (0.51) MEN1ALDH1A1KMT2ATHRATHRB
SCHEMBL4556778 0.79 THRA (0.49) MEN1ALDH1A1KMT2ATHRATHRB
SCHEMBL4549097 0.78 MAOB (0.43)
SCHEMBL7514252 0.78 THRA (0.62) MEN1ALDH1A1KMT2ATHRATHRB
SCHEMBL4556782 0.78 CYSLTR2 (0.51) THRATHRBCYSLTR2CYSLTR1PPARD
SCHEMBL4556549 0.76 THRA (0.52) MEN1ALDH1A1KMT2ATHRATHRB
SCHEMBL3682775 0.76 NR5A1 (0.53) MEN1ALDH1A1KMT2ATHRATHRB

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-8507549-B2 Methods for synthesizing glycinols, glyceollins I and II and isoflavenes and chromanes using a Wittig reaction, and compositions made therewith THE UNIVERSITY OF TOLEDO (US) 2013-08-13 US disclosed
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 MEN1 377/4885ALDH1A1 3179/4885KMT2A 1822/4885

“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.