SCHEMBL5879473

SCHEMBL5879473

c1ccc(COc2c(CC3CO3)cccc2CC2CO2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
PTGER4 P35408 4/20 0.41
PTGER3 P43115 4/20 0.41
PTGER2 P43116 4/20 0.41
KDM1A O60341 3/20 0.40
MAOB P27338 2/20 0.40
BCHE P06276 2/20 0.40
MAOA P21397 1/20 0.40
HTR1A P08908 2/20 0.40
PTGER1 P34995 2/20 0.40
DRD2 P14416 1/20 0.40
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 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
SCHEMBL8976466 0.91 PTGER4 (0.51) TDP1PTGER4PTGER3PTGER2BCHE
SCHEMBL8732315 0.90 PTGER4 (0.42) TDP1PTGER4PTGER3PTGER2KDM1A
SCHEMBL8732326 0.90 PTGER4 (0.42) TDP1PTGER4PTGER3PTGER2KDM1A
SCHEMBL9857320 0.85 SLC6A2 (0.48) PTGER4PTGER3PTGER2KDM1AMAOB
SCHEMBL5879437 0.85 LMNA (0.40) TDP1PTGER4PTGER3PTGER2KDM1A
SCHEMBL12670343 0.83 L3MBTL1 (0.36) TDP1MAOBHTR1AMEN1KMT2A
SCHEMBL14397632 0.80 ALDH1A1 (0.55) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL283604 0.80 ALDH1A1 (0.55) TDP1MEN1KMT2AMAPTLMNA
SCHEMBL12670347 0.79 L3MBTL1 (0.38) TDP1MAOBMAOAHTR1AMEN1
SCHEMBL13901727 0.79 HTR1A (0.49) TDP1PTGER4PTGER3PTGER2HTR1A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7141684-B2 Diepoxide derivatives of diallyl phenolics PEWS R GARTH 2006-11-28 US claimed
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics PEWS R G (US) 2005-04-28 US claimed
US-7141684-B2 Diepoxide derivatives of diallyl phenolics PEWS R GARTH 2006-11-28 US disclosed
US-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics PEWS R G (US) 2005-04-28 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-20050090673-A1 Novel diepoxide derivatives of diallyl phenolics EBP, EED, ESR2 TDP1 4097/4885PTGER4 201/4885PTGER3 345/4885

“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.