SCHEMBL6402173

SCHEMBL6402173

C=CCC(CC=O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 6/20 0.55
GRIK2 Q13002 6/20 0.55
CPA1 P15085 1/20 0.53
CYP2C19 P33261 1/20 0.39
TBXAS1 P24557 1/20 0.33
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 1/20 0.32
AKR1A1 P14550 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
ADRA1A P35348 1/20 0.32
HRH1 P35367 1/20 0.32
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL891727 0.90 GRIK1 (0.64) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL13675503 0.87 CHRM1 (0.39) GRIK1GRIK2CPA1CHRM1AKR1A1
SCHEMBL1045275 0.86 GRIK1 (0.57) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL6050002 0.82 GRIK1 (0.75) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL10349627 0.80 GRIK1 (0.46) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL10349629 0.80 GRIK1 (0.46) GRIK1GRIK2CPA1CYP2C19TBXAS1
Pentanal SCHEMBL11495781 0.78 TSHR (0.50) GRIK1GRIK2CPA1CHRM1AKR1A1
SCHEMBL10625605 0.78
SCHEMBL5133412 0.77 GRIK1 (0.47) GRIK1GRIK2CPA1CYP2C19TBXAS1
SCHEMBL24215021 0.76 GRIK1 (0.55) GRIK1GRIK2CPA1CYP2C19ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1549278-A4 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LTD (GB) 2005-12-14 EP disclosed
EP-1549278-A2 M sb 3 /sb MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2005-07-06 EP disclosed
EP-1142894-B1 Volatile precursors for deposition of metals and metal-containing films AIR PROD & CHEM (US) 2005-01-12 EP disclosed
US-6818783-B2 HOMOLOGOUS EIGHT MEMBERED RING COMPOUNDS HAVING A METAL, SUCH AS COPPER, REVERSIBLY BOUND IN THE RING AND CONTAINING CARBON, NITROGEN, SILICON AND/OR OTHER METALS. AIR PRODUCTS AND CHEMICALS, INC. 2004-11-16 US disclosed
US-20040215030-A1 Precursors for metal containing films VERSUM MATERIALS US, LLC 2004-10-28 US disclosed
EP-1471568-A1 Precursors for metal containing films AIR PRODUCTS AND CHEMICALS, INC. (US) 2004-10-27 EP disclosed
WO-2004012684-A2 M3MUSCARINIC ACETYLCHOLINE RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2004-02-12 WO disclosed
US-20030135061-A1 Volatile precursors for deposition of metals and metal-containing films VERSUM MATERIALS US, LLC 2003-07-17 US disclosed
US-20020013487-A1 Volatile precursors for deposition of metals and metal-containing films VERSUM MATERIALS US, LLC 2002-01-31 US disclosed
EP-1142894-A2 Volatile precursors for deposition of metals and metal-containing films AIR PRODUCTS AND CHEMICALS, INC. (US) 2001-10-10 EP disclosed
US-5091559-A Process for the preparation of alkyl 4-oxobutyrate and its acetals QUANTUM CHEMICAL CORPORATION (US) 1992-02-25 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 (3 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-20020013487-A1 Volatile precursors for deposition of metals and metal-containing films SOD1, C1R, C5 GRIK1 2698/4885GRIK2 3156/4885CPA1 4448/4885
US-20030135061-A1 Volatile precursors for deposition of metals and metal-containing films SOD1, C1R, C5 GRIK1 2778/4885GRIK2 3236/4885CPA1 4428/4885
US-20040215030-A1 Precursors for metal containing films TBL3, TBL2, TNNI3 GRIK1 3730/4885GRIK2 3718/4885CPA1 4156/4885

“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.