SCHEMBL1784441

SCHEMBL1784441

CC(=O)OCc1cc(C(C)(C)C)c(O)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
ALOX15 P16050 5/20 0.44
CYP3A4 P08684 5/20 0.44
TP53 P04637 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HIF1A Q16665 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
ATP2A2 P16615 1/20 0.42
ATP2A3 Q93084 1/20 0.42
CYP2C9 P11712 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 2/20 0.41
ESRRA P11474 1/20 0.39
HSD17B10 Q99714 4/20 0.38
LMNA P02545 2/20 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
SCHEMBL16688135 0.78 ALOX15 (0.54) ALDH1A1ALOX15CYP3A4TP53SMN1; SMN2
SCHEMBL9731794 0.77 HSD17B10 (0.46) ALDH1A1CYP3A4SMN1; SMN2KDM4EMAPT
SCHEMBL10027438 0.76 ALOX15 (0.46) ALDH1A1ALOX15CYP3A4TP53SMN1; SMN2
SCHEMBL30807859 0.76 ALDH1A1 (0.56) ALDH1A1ALOX15CYP3A4TP53SMN1; SMN2
SCHEMBL9230440 0.76 ALOX15 (0.56) ALDH1A1ALOX15CYP3A4TP53SMN1; SMN2
SCHEMBL68939 0.76 ALDH1A1 (0.56) ALDH1A1ALOX15CYP3A4TP53SMN1; SMN2
SCHEMBL13034088 0.76 HSD17B10 (0.45) ALDH1A1CYP3A4SMN1; SMN2KDM4EMAPT
SCHEMBL6298400 0.76 RXRA (0.48) ALDH1A1ALOX15CYP3A4TP53SMN1; SMN2
SCHEMBL6057810 0.75 ALDH1A1 (0.42) ALDH1A1CYP3A4SMN1; SMN2HIF1ATDP1
SCHEMBL10879148 0.75 ALOX15 (0.55) ALDH1A1ALOX15CYP3A4TP53SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9796939-B2 Multi-ring antioxidants with antiwear properties SI GROUP, INC. (US) 2017-10-24 US disclosed
US-20140038871-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES ALBEMARLE CORPORATION (US) 2014-02-06 US disclosed
US-8580718-B2 Multi-ring antioxidants with antiwear properties ALBERMARLE CORPORATION (US) 2013-11-12 US disclosed
US-20110124540-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES ALBEMARLE CORPORATION (US) 2011-05-26 US disclosed
EP-2323975-A2 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES Albemarle Corporation (US) 2011-05-25 EP disclosed
WO-2010011523-A2 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES ALBEMARLE CORPORATION (US) 2010-01-28 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 (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-20110124540-A1 MULTI-RING ANTIOXIDANTS WITH ANTIWEAR PROPERTIES GSR, CBR1, SOD1 ALDH1A1 118/4885ALOX15 544/4885CYP3A4 811/4885

“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.