SCHEMBL490637

SCHEMBL490637

COc1ccc(CCC(=O)O)c(OC)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.71
HSD17B10 Q99714 2/20 0.57
FFAR1 O14842 3/20 0.56
APLNR P35414 1/20 0.53
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
RAB9A P51151 1/20 0.52
ALDH1A1 P00352 1/20 0.49
CYP1A2 P05177 1/20 0.49
HPGD P15428 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL27788117 0.92 POLB (0.60) POLBHSD17B10FFAR1APLNR
SCHEMBL4419943 0.89 POLB (0.57) POLBHSD17B10APLNR
SCHEMBL10784792 0.88 POLB (0.55) POLBHSD17B10APLNRNPC1PKM
SCHEMBL8714213 0.88 POLB (0.56) POLBHSD17B10APLNRALDH1A1
SCHEMBL10767355 0.88 POLB (0.56) POLBHSD17B10APLNRALDH1A1
SCHEMBL491188 0.87 HSD17B10 (0.71) POLBHSD17B10
SCHEMBL30436820 0.87 HSD17B10 (0.71) POLBHSD17B10
SCHEMBL266527 0.87 NPC1 (0.58) POLBHSD17B10APLNRNPC1PKM
SCHEMBL585472 0.85 APLNR (0.56) POLBAPLNRNPC1PKMRAB9A
SCHEMBL2398226 0.85 POLB (0.53) POLBHSD17B10APLNRNPC1PKM

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112682031-B Oil field interwell tracer, tracing method and fracturing fluid 中国石油化工股份有限公司 2024-06-28 CN 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
CN-116568677-A piperidin-1-yl-N-pyridin-3-yl-2-oxoacetamide derivatives useful for the treatment of MTAP deficiency and/or MTA accumulating cancers 探戈医药股份有限公司 2023-08-08 CN disclosed
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2022-02-22 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-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS NOVO NORDISK A/S (DK) 2020-12-31 US disclosed
US-20110046050-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2011-02-24 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-1871339-A1 UV PROTECTION Merck Patent GmbH (DE) 2008-01-02 EP disclosed
EP-1871735-A1 ANTIOXIDANTS 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
EP-1091958-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2001-04-18 EP disclosed
WO-2000001692-A1 SALTS OF PAROXETINE SMITHKLINE BEECHAM PLC (GB) 2000-01-13 WO disclosed
US-5066658-A Enzyme Inhibitors; Bronchodilators; Antiinflammatory Agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-19 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 (5 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 259/4885HSD17B10 364/4885FFAR1 3180/4885
US-20200405863-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS PGF, LIPA, PDGFA POLB 3555/4885HSD17B10 1647/4885FFAR1 713/4885
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 236/4885HSD17B10 699/4885FFAR1 3333/4885
US-20110046050-A1 PHENYLALKYLCARBOXYLIC ACID DELIVERY AGENTS PGF, LIPA, PDGFA POLB 3555/4885HSD17B10 1647/4885FFAR1 713/4885
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA POLB 3555/4885HSD17B10 1647/4885FFAR1 713/4885

“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.