SCHEMBL1783070

SCHEMBL1783070

COCc1cc(C(C)(C)C(C)C)c(O)c(C(C)(C)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HMGCR P04035 2/20 0.38
▸ ALDH1A1 P00352 9/20 0.37
▸ TSHR P16473 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ GAA P10253 1/20 0.37
▸ CA2 P00918 3/20 0.36
▸ CA1 P00915 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MAPK1 P28482 3/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP3A4 P08684 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ ATM Q13315 2/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ GMNN O75496 1/20 0.36
▸ GABBR2 O75899 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36

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
SCHEMBL1786090 0.90 CYP1A2 (0.36) HMGCRALDH1A1TSHRLMNAGAA
SCHEMBL38917 0.81 CA2 (0.55) HMGCRALDH1A1TSHRLMNAGAA
SCHEMBL9511287 0.81 ALDH1A1 (0.41) HMGCRALDH1A1TSHRLMNAGAA
SCHEMBL1784735 0.80 ALDH1A1 (0.42) HMGCRALDH1A1TSHRLMNAGAA
SCHEMBL1785393 0.79 ALDH1A1 (0.43) HMGCRALDH1A1TSHRLMNAGAA
SCHEMBL8926213 0.78 CA2 (0.41) ALDH1A1TSHRLMNAGAACA2
SCHEMBL8338846 0.78 ALDH1A1 (0.39) HMGCRALDH1A1TSHRLMNAGAA
SCHEMBL11278365 0.78 ALDH1A1 (0.39) HMGCRALDH1A1TSHRLMNAGAA
SCHEMBL2069687 0.76 ALDH1A1 (0.38) HMGCRALDH1A1TSHRLMNAGAA
SCHEMBL9328910 0.75 SHBG (0.40) HMGCRALDH1A1TSHRLMNAGAA

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 4 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

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 HMGCR 145/4885ALDH1A1 118/4885TSHR 3338/4885

“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.

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