SCHEMBL490691

SCHEMBL490691

COc1cccc(CCC(=O)O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSG P08311 1/20 0.56
CMA1 P23946 1/20 0.56
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA14 Q9ULX7 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
FFAR4 Q5NUL3 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HIF1A Q16665 1/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.49
ABCB1 P08183 2/20 0.49
ABCG2 Q9UNQ0 1/20 0.49
KDM4E B2RXH2 1/20 0.47
PTGER1 P34995 1/20 0.47
PTGER4 P35408 1/20 0.47
PTGER3 P43115 1/20 0.47
PTGER2 P43116 1/20 0.47

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
SCHEMBL7885276 0.98 CTSG (0.55) CTSGCMA1CA12CA1CA2
SCHEMBL612449 0.90 FFAR4 (0.51) CTSGCMA1CA12CA1CA2
SCHEMBL6112724 0.89 PPARA (0.52) CTSGCMA1CA12CA1CA2
SCHEMBL7333227 0.88 CA12 (0.54) CTSGCMA1CA12CA1CA2
SCHEMBL3408740 0.88 KMT2A (0.54) CTSGCMA1KMT2AFFAR4LMNA
SCHEMBL6112796 0.88 PPARA (0.55) CTSGCMA1CA12CA1CA2
SCHEMBL8959870 0.87 KMT2A (0.52) CTSGCMA1CA12CA1CA2
SCHEMBL3407322 0.86 CTSG (0.48) CTSGCMA1KMT2AFFAR4ALDH1A1
SCHEMBL4684928 0.85 CA12 (0.55) CTSGCMA1CA12CA1CA2
SCHEMBL4684922 0.85 CA12 (0.51) CTSGCMA1CA12CA1CA2

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 67 patents — showing the first 20. 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-11739354-B2 Enzymatic synthesis of kavalactones and flavokavains WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2023-08-29 US disclosed
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NOVARTIS AG (CH) 2023-02-23 US disclosed
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents NOVO NORDISK NORTH AMERICA OPERATIONS A/S (DK) 2022-02-22 US disclosed
US-20220002768-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 US disclosed
US-20220002769-A1 ENZYMATIC SYNTHESIS OF KAVALACTONES AND FLAVOKAVAINS WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2022-01-06 US disclosed
EP-3880658-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY Novartis AG (CH) 2021-09-22 EP disclosed
CN-113227055-A Compounds and compositions for treating conditions associated with NLRP activity 诺华股份有限公司 2021-08-06 CN disclosed
WO-2001062749-A1 SUBSTITUTED PIPERAZINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2001-08-30 WO disclosed
US-6281243-B1 ANTIDEPRESSANTS, ANTISEROTONINE AGENT AKZO NOBEL N.V. (NL) 2001-08-28 US disclosed
WO-1999043647-A1 DERIVATIVES OF AZETIDINE AND PYRROLIDINE AKZO NOBEL N.V. (NL) 1999-09-02 WO disclosed
EP-0863136-A1 Derivatives of azetidine and pyrrolidine Akzo Nobel N.V. (NL) 1998-09-09 EP disclosed
EP-0706521-A1 NOVEL IMIDES CELGENE CORPORATION (US) 1996-04-17 EP disclosed
WO-1995001348-A2 IMIDES AS INHIBITORS OF TNP ALPHA CELGENE CORPORATION (US) 1995-01-12 WO disclosed
US-5066658-A Enzyme Inhibitors; Bronchodilators; Antiinflammatory Agents ORTHO PHARMACEUTICAL CORPORATION (US) 1991-11-19 US disclosed
US-4769368-A DOPAMINE ANTAGONISTS SMITHKLINE BECKMAN CORPORATION (US) 1988-09-06 US disclosed
EP-0233049-A1 2,3,4,8,9,9a-Hexahydro-4-aryl-1H-indeno[1,7-cd]azepines SMITHKLINE BECKMAN CORPORATION (US) 1987-08-19 EP disclosed
US-4505932-A AMINOMETHYL-DIHYDROXY (DIALKOXY)-INDOLE, HYPOTENSIVE AGENTS ABBOTT LABORATORIES (US) 1985-03-19 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 (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-20230059136-A1 THE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH NLRP ACTIVITY NLRP1, NLRP3, NOD1 CTSG 1602/4885CMA1 860/4885CA12 3011/4885
US-11253596-B2 Phenylalkylcarboxylic acid delivery agents PGF, LIPA, PDGFA CTSG 645/4885CMA1 2495/4885CA12 770/4885

“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.