SCHEMBL4556517

SCHEMBL4556517

CCCCOc1ccc(C2=C(c3ccc(OCCCC)cc3)c3ccc(OCCCC)cc3OC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 15/20 0.46
ESR2 Q92731 15/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MAOA P21397 2/20 0.43
MAOB P27338 2/20 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
SCHEMBL2686651 0.80 MAOB (0.63) ESR1ESR2MAOAMAOB
SCHEMBL10071664 0.79 PTGS1 (0.54) ESR1ESR2
SCHEMBL13264370 0.76 MAOB (0.69) THRATHRBMAOAMAOB
SCHEMBL12473712 0.75 PTGS1 (0.67) ESR1ESR2
SCHEMBL27492143 0.74 MAOB (0.66) THRATHRBMAOAMAOB
SCHEMBL4549094 0.73 MAOB (0.52) ESR1ESR2MAOAMAOB
SCHEMBL10042948 0.73 MAPT (0.50) ESR1ESR2MAOB
SCHEMBL27511997 0.73 MAOB (0.64) THRATHRBMAOAMAOB
SCHEMBL4556762 0.73 CYP2D6 (0.42)
SCHEMBL7951909 0.73 CYP2D6 (0.60)

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 ESR1 452/4885ESR2 293/4885THRA 3562/4885

“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.