SCHEMBL5879463

SCHEMBL5879463

C=CCc1cc(S(=O)(=O)c2ccc(O)c(CC=C)c2)ccc1O.C=CCc1cc(S(=O)(=O)c2ccc(OC)c(CC=C)c2)ccc1OC

nearest known ligand 0.76

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.76
GABRA1 P14867 8/20 0.53
GABRB2 P47870 8/20 0.53
ALOX5 P09917 6/20 0.53
CNR2 P34972 2/20 0.53
PTPN1 P18031 6/20 0.53
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
AR P10275 1/20 0.48
PTGS1 P23219 1/20 0.48
TRPM8 Q7Z2W7 1/20 0.48
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL5879449 0.92 POLB (0.59) POLBGABRA1GABRB2ALOX5CNR2
SCHEMBL29375900 0.87 POLB (1.00) POLBGABRA1GABRB2ALOX5CNR2
SCHEMBL28231 0.87 POLB (1.00) POLBGABRA1GABRB2ALOX5CNR2
SCHEMBL3403169 0.87 POLB (1.00) POLBGABRA1GABRB2ALOX5CNR2
SCHEMBL29420401 0.87 POLB (1.00) POLBGABRA1GABRB2ALOX5CNR2
SCHEMBL13356448 0.84 POLB (0.88) POLBGABRA1GABRB2ALOX5CNR2
SCHEMBL24478022 0.83 GABRA1 (0.49) POLBGABRA1GABRB2ALOX5CNR2
SCHEMBL9661550 0.81 POLB (0.54) POLBALDH1A1PTGS1TSHRMAPK1
SCHEMBL3342564 0.81 POLB (0.88) POLBGABRA1GABRB2ALOX5CNR2
SCHEMBL5879452 0.79 POLB (0.46) POLBGABRA1GABRB2ALOX5CNR2

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-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 POLB 4413/4885GABRA1 1655/4885GABRB2 1259/4885

“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.