SCHEMBL4556778

SCHEMBL4556778

CCCCOc1cc(OCOC)ccc1C(=O)CI

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.49
THRB P10828 8/20 0.49
KDM4E B2RXH2 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC2 Q92769 1/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
CYSLTR2 Q9NS75 1/20 0.38
CYSLTR1 Q9Y271 1/20 0.38
TSHR P16473 1/20 0.38
MAOB P27338 1/20 0.38

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
SCHEMBL4556556 0.87 THRA (0.52) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL4556782 0.85 CYSLTR2 (0.51) THRATHRBKDM4ECYSLTR2CYSLTR1
SCHEMBL4557812 0.81 THRA (0.47) THRATHRBMEN1ALDH1A1KMT2A
SCHEMBL1961888 0.81 MAOB (0.53) KDM4EALDH1A1MAOB
SCHEMBL4556784 0.79 MEN1 (0.46) THRATHRBMEN1ALDH1A1KMT2A
SCHEMBL7770564 0.77 KDM4E (0.43) THRATHRBKDM4EALDH1A1TSHR
SCHEMBL29056506 0.77 RXFP1 (0.45) THRATHRBKDM4EMEN1ALDH1A1
SCHEMBL7514252 0.77 THRA (0.62) THRATHRBMEN1ALDH1A1KMT2A
SCHEMBL27355171 0.76 THRA (0.54) THRATHRBHDAC3HDAC1HDAC2
SCHEMBL19583373 0.75 THRA (0.52) THRATHRBKDM4ETSHR

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 THRA 3562/4885THRB 3674/4885KDM4E 3366/4885

“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.