SCHEMBL4549101

SCHEMBL4549101

Cc1ccc(C(=O)c2ccc(OCc3ccccc3)cc2)c(O)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.62
MAOB P27338 6/20 0.61
SRD5A2 P31213 1/20 0.58
ALDH1A1 P00352 3/20 0.57
HTT P42858 3/20 0.57
HPGD P15428 2/20 0.57
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
PGR P06401 1/20 0.57
CYP2D6 P10635 1/20 0.57
SLC6A2 P23975 1/20 0.57
PDE4A P27815 1/20 0.57
MAPK1 P28482 1/20 0.57
CYP2C19 P33261 1/20 0.57
HRH1 P35367 1/20 0.57
SLC6A3 Q01959 1/20 0.57
PDE4D Q08499 1/20 0.57
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55

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
SCHEMBL2686883 0.91 PTGES (0.70) PTGESMAOBSRD5A2ALDH1A1HTT
SCHEMBL4098564 0.88 HPGD (0.74) PTGESMAOBSRD5A2ALDH1A1HTT
SCHEMBL26863 0.86 MAOB (0.71) PTGESMAOBSRD5A2ALDH1A1HTT
SCHEMBL29481015 0.86 MAOB (0.71) PTGESMAOBSRD5A2ALDH1A1HTT
Benzophenone SCHEMBL28215327 0.85 MAOB (0.69) PTGESMAOBSRD5A2ALDH1A1HTT
SCHEMBL4000884 0.84 PTGES (0.71) PTGESMAOBSRD5A2ALDH1A1HTT
SCHEMBL7796801 0.82 MAOB (0.77) PTGESMAOBSRD5A2HPGDLMNA
SCHEMBL23851943 0.82 MEN1 (0.68) PTGESMAOBSRD5A2ALDH1A1HTT
SCHEMBL5393386 0.82 SRD5A2 (0.65) PTGESMAOBSRD5A2ALDH1A1HTT
SCHEMBL14315506 0.81 SRD5A2 (0.60) PTGESMAOBSRD5A2ALDH1A1HTT

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 PTGES 141/4885MAOB 669/4885SRD5A2 430/4885

“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.