SCHEMBL9837461

SCHEMBL9837461

CC(C)(CCO)C(=O)[O-].[Na+]

nearest known ligand 0.39

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA4 known ✓ P22748 3/20 0.33
CA1 known ✓ P00915 1/20 0.33
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
Lithium Ion SCHEMBL27192514 0.95 CYP4F2 (0.32) CYP4F2CYP4A11
Potassium Ion SCHEMBL1724809 0.95 CYP4F2 (0.32) CA4CA1CYP4F2CYP4A11
SCHEMBL9837399 0.85 CYP4F2 (0.47) CA4CA1CYP4F2CYP4A11
SCHEMBL2590356 0.79 FFAR3 (0.42) CA4CA1FFAR3HDAC3HDAC1
SCHEMBL1082921 0.78 ACLY (0.38) CA4CA1CYP4F2CYP4A11
SCHEMBL3957769 0.78
SCHEMBL6931562 0.77 FFAR3 (0.46) CA4CA1FFAR3HDAC3HDAC1
SCHEMBL28394389 0.76 ACLY (0.37) CA1CYP4F2CYP4A11
SCHEMBL4459363 0.76 ACLY (0.37) CA1CYP4F2CYP4A11
SCHEMBL31407802 0.76 CA2 (0.36) CA4CA1FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119285572-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-10 CN disclosed
US-20250011338-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2025-01-09 US disclosed
CN-119264073-A Kinase inhibitors and uses thereof 戴纳立制药公司 2025-01-07 CN disclosed
US-12129263-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2024-10-29 US disclosed
CN-110913858-B Kinase inhibitors and uses thereof 戴纳立制药公司 2024-09-24 CN disclosed
US-20220041620-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2022-02-10 US disclosed
US-11203600-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2021-12-21 US disclosed
EP-3624797-A1 KINASE INHIBITORS AND USES THEREOF Denali Therapeutics Inc. (US) 2020-03-25 EP disclosed
US-20200087319-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2020-03-19 US disclosed
WO-2018213632-A1 KINASE INHIBITORS AND USES THEREOF DENALI THERAPEUTICS INC. (US) 2018-11-22 WO disclosed
EP-0211416-B1 NOVEL HMG-COA REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1991-10-16 EP disclosed
US-4851436-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS MERCK & CO., INC. (US) 1989-07-25 US disclosed
US-4668699-A 6-(NAPHTHYLETHYL)TETRAHYDROPYRAN-2-ONES; ANTILIPEMIC, ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-05-26 US disclosed
US-4665091-A 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-05-12 US disclosed
EP-0211416-A2 Novel HMG-CoA reductase inhibitors MERCK & CO. INC. (US) 1987-02-25 EP 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-20250011338-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 CA4 4342/4885CA1 4497/4885CYP4F2 3293/4885
US-20200087319-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 CA4 4342/4885CA1 4497/4885CYP4F2 3293/4885
US-11203600-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 CA4 4342/4885CA1 4497/4885CYP4F2 3293/4885
US-20220041620-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 CA4 4342/4885CA1 4497/4885CYP4F2 3293/4885
US-12129263-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 CA4 4342/4885CA1 4497/4885CYP4F2 3293/4885

“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.