SCHEMBL4556548

SCHEMBL4556548

CCCCOc1ccc2c(c1)OCC(c1ccc(OC)cc1OCCCC)=C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.42
NR1H4 Q96RI1 1/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CYP3A4 P08684 2/20 0.39
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PTPN1 P18031 3/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
BCHE P06276 1/20 0.37
ACHE P22303 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL4556779 0.91 THRA (0.37) ALOX5NR1H4LMNAKDM4ECYP3A4
SCHEMBL12946430 0.83 ALOX5 (0.43) ALOX5NR1H4KDM4ECYP3A4MAPT
SCHEMBL2688515 0.81 MAOB (0.53) ALOX5MAPTALDH1A1HPGDMAPK1
SCHEMBL4557811 0.80 ALOX5 (0.35) ALOX5NR1H4MAPTALDH1A1THRA
SCHEMBL4556762 0.79 CYP2D6 (0.42) ALOX5LMNAKDM4ECYP3A4MAPT
SCHEMBL7058640 0.76 PTGS2 (0.51) ALOX5NR1H4LMNAKDM4ECYP3A4
SCHEMBL805440 0.75 MAOB (0.45) KDM4ECYP3A4MAPTALDH1A1HPGD
SCHEMBL4549091 0.75 MAOB (0.43) ALOX5ALDH1A1HPGDMAOBMAOA
SCHEMBL1962780 0.73 MAOB (0.51) ALOX5KDM4EMAPTALDH1A1HPGD
SCHEMBL28216130 0.72 ALOX5 (0.46) ALOX5NR1H4LMNAKDM4ECYP3A4

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 ALOX5 1358/4885NR1H4 1624/4885LMNA 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.