SCHEMBL16832048

SCHEMBL16832048

COC(=O)C=Cc1ccc(C)c(CO)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.56
▸ APP P05067 2/20 0.56
▸ PTPN1 P18031 1/20 0.54
▸ KDM4E B2RXH2 5/20 0.54
▸ ALDH1A1 P00352 4/20 0.54
▸ CA12 O43570 2/20 0.53
▸ CA1 P00915 2/20 0.53
▸ CA2 P00918 2/20 0.53
▸ TYR P14679 2/20 0.53
▸ CA7 P43166 2/20 0.53
▸ CA9 Q16790 2/20 0.53
▸ CA14 Q9ULX7 2/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ FDPS P14324 2/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ GAA P10253 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ HTT P42858 2/20 0.51
▸ JAK2 O60674 1/20 0.51
▸ MMP9 P14780 3/20 0.51

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
SCHEMBL16832047 1.00 TTR (0.56) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL16852824 0.89 APP (0.58) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL28754816 0.89 APP (0.58) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL15298268 0.88 TTR (0.59) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL18100212 0.85 APP (0.69) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL16831805 0.85 TTR (0.56) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL16831807 0.85 TTR (0.56) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL10149459 0.83 AKR1C3 (0.52) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL13132420 0.82 TTR (0.65) TTRAPPPTPN1KDM4EALDH1A1
SCHEMBL13453151 0.82 NFKB1 (0.69) APPKDM4EALDH1A1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 — — US disclosed
US-10144731-B2 Nrf2 regulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-12-04 — — US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 — — US disclosed
EP-3083614-A1 NRF2 REGULATORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2016-10-26 — — EP disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 — — WO 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 (3 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 TTR 4144/4885APP 2655/4885PTPN1 3313/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 TTR 4144/4885APP 2655/4885PTPN1 3313/4885
US-10144731-B2 Nrf2 regulators NFE2L2, KEAP1, NQO1 TTR 4144/4885APP 2655/4885PTPN1 3313/4885

“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.

Send feedback