SCHEMBL490563

SCHEMBL490563

CCOC(=O)C(Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 3/20 0.57
GAA P10253 4/20 0.49
PKM P14618 1/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 5/20 0.44
TSHR P16473 3/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
MAPK1 P28482 2/20 0.44
BLM P54132 2/20 0.44
ATM Q13315 2/20 0.44
HIF1A Q16665 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
MAPT P10636 2/20 0.44
USP2 O75604 1/20 0.44
CYP2D6 P10635 1/20 0.44
LMNA P02545 3/20 0.44
CA2 P00918 2/20 0.43

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
SCHEMBL11778346 0.94 HMGCR (0.55) HMGCRGAAPKMHTTALDH1A1
SCHEMBL11773012 0.93 HMGCR (0.53) HMGCRGAAPKMHTTALDH1A1
SCHEMBL27882298 0.86 HMGCR (0.56) HMGCRGAAPKMHTTALDH1A1
SCHEMBL490407 0.86 HMGCR (0.51) HMGCRGAAPKMHTTALDH1A1
SCHEMBL4830853 0.85 HMGCR (0.49) HMGCRGAAPKMHTTALDH1A1
SCHEMBL10952379 0.85 HMGCR (0.55) HMGCRGAAPKMHTTALDH1A1
SCHEMBL6706293 0.85 HMGCR (0.55) HMGCRGAAPKMHTTALDH1A1
SCHEMBL9004903 0.85 HMGCR (0.46) HMGCRGAAPKMHTTALDH1A1
SCHEMBL585926 0.84 HMGCR (0.53) HMGCRGAAPKMHTTALDH1A1
SCHEMBL8779933 0.84 HMGCR (0.53) HMGCRGAAPKMHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3951915-A Thermo-oxidative stable copolyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-20 US claimed
WO-2023147327-A1 COATING COMPOSITION CONTAINING TMCD POLYESTER AND MALONIC POLYESTER EASTMAN CHEMICAL COMPANY (US) 2023-08-03 WO disclosed
US-8268293-B2 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2012-09-18 US disclosed
US-8106233-B2 Applying di-2-ethylhexyl 4-hydroxy-3,5-dimethoxy-benzylmalonate; protective action against UV rays, oxidative stress on body cells, counters skin ageing MERCK PATENT GMBH (DE) 2012-01-31 US disclosed
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives MERCK PATENT GMBH (DE) 2008-07-17 US disclosed
US-20080152603-A1 Antioxidants SUSONITY Commercial GmbH (DE) 2008-06-26 US disclosed
US-3989738-A Method of preparing phenolic antioxidants by condensing active methylene compounds with 3,5-di-tert alkyl-4-hydroxybenzylpyridinium salts THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-11-02 US disclosed
US-3951915-A Thermo-oxidative stable copolyesters THE GOODYEAR TIRE & RUBBER COMPANY (US) 1976-04-20 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-20080152603-A1 Antioxidants GPX4, GPX1, CAT HMGCR 373/4885GAA 940/4885PKM 1176/4885
US-20080171004-A1 Using compounds which do not themselves exhibit significant UV absorption in the UV-A or UV-B region, but are reactive under use conditions, such as 4-hydroxyphenylpropionic acid, or 2-ethylhexyl 4-hydroxy-3,5-dimethoxycinnamate, or polysiloxanes which contain benzylidenemalonic acid derivatives HPD, HAAO, UGT1A6 HMGCR 637/4885GAA 309/4885PKM 1127/4885

“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.