SCHEMBL5879449

SCHEMBL5879449

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

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.59
TSHR P16473 2/20 0.56
MAPK1 P28482 2/20 0.56
GABRA1 P14867 8/20 0.51
GABRB2 P47870 8/20 0.51
ALOX5 P09917 3/20 0.51
CNR2 P34972 2/20 0.51
ALDH1A1 P00352 2/20 0.47
PPARG P37231 1/20 0.47
PPARD Q03181 1/20 0.47
PPARA Q07869 1/20 0.47
PTPN1 P18031 3/20 0.47
PTGS1 P23219 1/20 0.42
GABRA5 P31644 1/20 0.42
GABRA3 P34903 1/20 0.42
GABRA2 P47869 1/20 0.42
FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL5879463 0.92 POLB (0.76) POLBTSHRMAPK1GABRA1GABRB2
SCHEMBL24478022 0.88 GABRA1 (0.49) POLBTSHRMAPK1GABRA1GABRB2
SCHEMBL5879452 0.86 POLB (0.46) POLBTSHRMAPK1GABRA1GABRB2
SCHEMBL16885522 0.83 POLB (0.55) POLBTSHRMAPK1GABRA1GABRB2
SCHEMBL9618035 0.83 POLB (0.58) POLBTSHRMAPK1GABRA1GABRB2
SCHEMBL11325102 0.81 POLB (0.56) POLBTSHRMAPK1GABRA1GABRB2
SCHEMBL21177757 0.80 POLB (0.55) POLBTSHRMAPK1GABRA1GABRB2
SCHEMBL8769752 0.79 POLB (0.71) POLBTSHRMAPK1GABRA1GABRB2
SCHEMBL11325103 0.79 POLB (0.57) POLBMAPK1GABRA1GABRB2CNR2
SCHEMBL3958628 0.78 GABRA1 (0.55) 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 4413/4885TSHR 4303/4885MAPK1 4000/4885

“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.