SCHEMBL22322397

SCHEMBL22322397

CC(C)(OO)c1ccc(CCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
NR1H4 Q96RI1 2/20 0.52
EPHX2 P34913 1/20 0.52
FFAR1 O14842 12/20 0.52
ALDH1A1 P00352 1/20 0.50
ALOX15 P16050 1/20 0.50
KEAP1 Q14145 1/20 0.50
LMNA P02545 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
FFAR4 Q5NUL3 2/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45

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
SCHEMBL846131 0.82 NR1H4 (0.71) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL7407541 0.80 RXRA (0.58) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL9342729 0.80 ALDH1A1 (0.54) NR1H4ALDH1A1ALOX15LMNA
SCHEMBL9809882 0.78 RXRA (0.59) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL30977669 0.78 FFAR1 (0.59) RXRARXRBRXRGFFAR1KEAP1
SCHEMBL861913 0.77 RXRA (0.55) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL23583035 0.77 NR1H4 (0.54) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL69746 0.77 FFAR1 (0.81) FFAR1KEAP1LMNAL3MBTL1FFAR4
SCHEMBL23582760 0.76 RXRA (0.58) RXRARXRBRXRGNR1H4EPHX2
SCHEMBL22334786 0.75 ALDH1A1 (0.44) RXRARXRBALDH1A1ALOX15LMNA

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-11357709-B2 Dental materials based on redox systems with low-odour cumene hydroperoxide derivatives IVOCLAR VIVADENT AG (LI) 2022-06-14 US disclosed
US-20200253837-A1 Dental Materials Based On Redox Systems With Low-Odour Cumene Hydroperoxide Derivatives IVOCLAR VIVADENT AG (LI) 2020-08-13 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 (2 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-11357709-B2 Dental materials based on redox systems with low-odour cumene hydroperoxide derivatives GPX4, GPX1, AOX1 RXRA 1614/4885RXRB 2137/4885RXRG 2366/4885
US-20200253837-A1 Dental Materials Based On Redox Systems With Low-Odour Cumene Hydroperoxide Derivatives GPX4, GPX1, AOX1 RXRA 1614/4885RXRB 2137/4885RXRG 2366/4885

“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.