SCHEMBL4843975

SCHEMBL4843975

CCCCCCCCC(CC(CC(CCCCC)C(=O)O)C(=O)O)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 3/20 0.75
GRIK2 Q13002 3/20 0.75
SLC1A2 P43004 3/20 0.71
SLC1A1 P43005 3/20 0.71
SLC1A3 P43003 2/20 0.62
CA2 P00918 2/20 0.61
MAPK1 P28482 1/20 0.61
GPR84 Q9NQS5 6/20 0.59
FFAR1 O14842 1/20 0.59
MAPT P10636 1/20 0.57
LCK P06239 1/20 0.57
PPARD Q03181 1/20 0.57
ZDHHC20 Q5W0Z9 1/20 0.57
ZDHHC2 Q9UIJ5 1/20 0.57
ACE2 Q9BYF1 1/20 0.53
CHRM1 P11229 1/20 0.52
AKR1A1 P14550 1/20 0.52
CHRM3 P20309 1/20 0.52
HTR2A P28223 1/20 0.52
HTR2C P28335 1/20 0.52

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
SCHEMBL17785976 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL8034530 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL6032768 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL1197864 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL577908 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL2502978 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL6898445 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL3798142 0.98 GRIK1 (0.78) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL83876 0.95 GRIK1 (0.77) GRIK1GRIK2SLC1A2SLC1A1SLC1A3
SCHEMBL88213 0.95 GRIK1 (0.77) GRIK1GRIK2SLC1A2SLC1A1SLC1A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-59014985-A None JP disclosed
WO-2021065244-A1 METAL-RUBBER COMPLEX, CONVEYOR BELT, HOSE, RUBBER CRAWLER, AND TIRE 株式会社ブリヂストン 2021-04-08 WO disclosed
US-7417159-B2 Conjugated linolenic acids and methods of preparation and purification and uses thereof UNIVERSITE LAVAL (CA) 2008-08-26 US disclosed
US-20060281815-A1 Conjugated linolenic acids and methods of preparation and purification and uses thereof UNIVERSITE LAVAL (CA) 2006-12-14 US disclosed
WO-2005014516-A1 CONJUGATED LINOLENIC ACIDS AND METHODS OF PREPARATION AND PURIFICATION AND USES THEREOF UNIVERSITE LAVAL (CA) 2005-02-17 WO disclosed
JP-2000336029-A BREAST CANCER-INHIBITING AGENT CONTAINING CONJUGATED LINOLENIC ACID AS ACTIVE INGREDIENT RINORU OIL MILLS CO LTD 2000-12-05 JP disclosed
US-4997907-A Polyester, epoxy compound HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-05 US disclosed
JP-S5914985-A PRESSURE SENSITIVE COPY MATERIAL RICOH CO LTD 1984-01-25 JP disclosed
US-4219676-A FREE RADICAL POLYMERIZATION CATALYSTS PENNWALT CORPORATION (US) 1980-08-26 US disclosed
US-4079074-A FREE RADICAL CATALYSTS, CURING AGENTS FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1978-03-14 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 (1 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-20060281815-A1 Conjugated linolenic acids and methods of preparation and purification and uses thereof ALOX5, ALOX15, ALOX15B GRIK1 2918/4885GRIK2 3058/4885SLC1A2 4348/4885

“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.