SCHEMBL1784735

SCHEMBL1784735

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ CYP3A4 P08684 3/20 0.38
▸ HMGCR P04035 2/20 0.38
▸ GAA P10253 5/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ MEN1 O00255 2/20 0.34
▸ CYP1A2 P05177 2/20 0.34
▸ MAPK1 P28482 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ ATM Q13315 2/20 0.34
▸ HIF1A Q16665 2/20 0.34
▸ NPSR1 Q6W5P4 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ PKM P14618 1/20 0.33

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
SCHEMBL1785809 0.91 ALDH1A1 (0.38) ALDH1A1CYP3A4HMGCRGAAIDH1
SCHEMBL931514 0.83 ALDH1A1 (0.51) ALDH1A1CYP3A4HMGCRGAATDP1
SCHEMBL1783070 0.80 HMGCR (0.38) ALDH1A1CYP3A4HMGCRGAATDP1
Phosphoric Acid SCHEMBL15754223 0.78 HMGCR (0.47) ALDH1A1CYP3A4HMGCRGAATDP1
SCHEMBL14000556 0.78 HMGCR (0.41) ALDH1A1CYP3A4HMGCRGAATDP1
SCHEMBL11649063 0.77 THRB (0.42) HMGCRGAATDP1TSHRHTT
SCHEMBL9511287 0.76 ALDH1A1 (0.41) ALDH1A1CYP3A4HMGCRGAATDP1
SCHEMBL1785393 0.74 ALDH1A1 (0.43) ALDH1A1CYP3A4HMGCRGAATDP1
SCHEMBL28850429 0.74 HMGCR (0.49) ALDH1A1CYP3A4HMGCRGAATDP1
SCHEMBL14010965 0.74 HSPA5 (0.59) ALDH1A1CYP3A4HMGCRGAATDP1

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 118/4885CYP3A4 811/4885HMGCR 145/4885

“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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