SCHEMBL490950

SCHEMBL490950

O=C(O)CCc1ccc(O)c(O)c1O

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
IAPP P10997 2/20 0.47
NPSR1 Q6W5P4 1/20 0.45
SELL P14151 2/20 0.45
SELP P16109 2/20 0.45

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
SCHEMBL11051603 0.82 IAPP (0.46) IAPP
SCHEMBL30485631 0.82 IAPP (0.70) POLBIAPPNPSR1
SCHEMBL26046412 0.82 IAPP (0.70) IAPP
SCHEMBL244943 0.82 IAPP (0.70) POLBIAPPNPSR1
SCHEMBL26046352 0.81 POLB (0.45) POLBIAPPNPSR1
SCHEMBL30940438 0.80 AKR1B1 (0.58) POLBSELLSELP
SCHEMBL8685874 0.80 AKR1B1 (0.58) POLBSELLSELP
Ammonia Solution, Strong SCHEMBL31621217 0.80 IAPP (0.68) POLBIAPPNPSR1
SCHEMBL21317652 0.80 POLB (0.59) POLBIAPPNPSR1
SCHEMBL23816613 0.79 PIK3CA (0.49) IAPPSELLSELP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 US disclosed
US-11746364-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-09-05 US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed
US-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed
US-20220002769-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 US disclosed
US-20220002768-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 US disclosed
US-10941429-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2021-03-09 US disclosed
US-20190271015-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2019-09-05 US 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
EP-1871735-A1 ANTIOXIDANTS Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
WO-2006111233-A1 ANTIOXIDANTS MERCK PATENT GMBH (DE) 2006-10-26 WO disclosed
WO-2006111234-A1 UV PROTECTION MERCK PATENT GMBH (DE) 2006-10-26 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 (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 POLB 259/4885IAPP 1118/4885NPSR1 2684/4885
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 POLB 236/4885IAPP 4855/4885NPSR1 3626/4885

“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.