SCHEMBL1785809

SCHEMBL1785809

CC(=O)OCc1cc(C)c(O)c(C(C)(C)C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.38
▸ CYP3A4 P08684 1/20 0.35
▸ S1PR4 O95977 1/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ HMGB1 P09429 1/20 0.33
▸ CXCL12 P48061 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HMGCR P04035 1/20 0.32
▸ GAA P10253 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ ESR1 P03372 1/20 0.30

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
SCHEMBL1784735 0.91 ALDH1A1 (0.42) ALDH1A1CYP3A4IDH1CYP1A2CYP2C9
SCHEMBL1786090 0.82 CYP1A2 (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19HMGCR
SCHEMBL1785658 0.81 ALDH1A1 (0.38) ALDH1A1CYP3A4S1PR4IDH1HMGB1
SCHEMBL13057612 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4S1PR4IDH1HMGB1
SCHEMBL9514191 0.79 SHBG (0.46) ALDH1A1CYP3A4HMGB1CXCL12CYP1A2
SCHEMBL1783230 0.77 SHBG (0.41) ALDH1A1CYP3A4HMGB1CXCL12CYP1A2
SCHEMBL931514 0.76 ALDH1A1 (0.51) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL11783326 0.73 CYP2C9 (0.44) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL14000556 0.73 HMGCR (0.41) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19
SCHEMBL5083340 0.72 CYP1A2 (0.46) ALDH1A1CYP3A4CYP1A2CYP2C9CYP2C19

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 ALDH1A1 118/4885CYP3A4 811/4885S1PR4 1795/4885

“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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