SCHEMBL4556782

SCHEMBL4556782

CCCCOc1cc(OCOC)ccc1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.51
CYSLTR1 Q9Y271 4/20 0.51
LMNA P02545 4/20 0.49
MAPT P10636 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
KDM4E B2RXH2 1/20 0.47
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
MAOB P27338 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARD Q03181 3/20 0.44
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
POLB P06746 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
NFKB1 P19838 1/20 0.43
BLM P54132 1/20 0.43
GRM2 Q14416 1/20 0.43

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
SCHEMBL31088170 0.89 KDM4E (0.49) MAPTL3MBTL1KDM4EMAOBPPARD
SCHEMBL5445458 0.89 KDM4E (0.49) MAPTL3MBTL1KDM4EMAOBPPARD
SCHEMBL10269078 0.89 LMNA (0.59) CYSLTR2CYSLTR1LMNAMAPTL3MBTL1
SCHEMBL13926713 0.85 THRA (0.61) CYSLTR2CYSLTR1LMNAMAPTL3MBTL1
SCHEMBL4556778 0.85 THRA (0.49) CYSLTR2CYSLTR1KDM4ETHRATHRB
SCHEMBL9525503 0.84 LMNA (0.54) CYSLTR2CYSLTR1LMNAMAPTL3MBTL1
SCHEMBL8218438 0.83 LMNA (0.55) CYSLTR2CYSLTR1LMNAMAPTL3MBTL1
SCHEMBL4215199 0.81 ALDH1A1 (0.57) LMNAMAPTL3MBTL1SMN1; SMN2POLB
SCHEMBL4447935 0.81 LMNA (0.51) CYSLTR2CYSLTR1LMNAMAPTL3MBTL1
SCHEMBL31253976 0.79 CTNNB1 (0.45) CYSLTR2CYSLTR1LMNAMAPTL3MBTL1

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 CYSLTR2 1019/4885CYSLTR1 1645/4885LMNA 1217/4885

“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.