SCHEMBL21101871

SCHEMBL21101871

CCCCCCC(CCCCCC)C(=O)/C=C/COC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.43
ZDHHC7 Q9NXF8 1/20 0.41
CA1 P00915 1/20 0.40
GRIK1 P39086 2/20 0.39
GRIK2 Q13002 2/20 0.39
GPR84 Q9NQS5 6/20 0.38
FFAR1 O14842 1/20 0.38
MAPT P10636 1/20 0.37
LCK P06239 1/20 0.37
PPARD Q03181 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
SLC1A2 P43004 1/20 0.37
SLC1A1 P43005 1/20 0.37
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
BIRC2 Q13490 1/20 0.36

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
SCHEMBL18909614 0.94 CA2 (0.45) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL20214844 0.78 ZDHHC7 (0.46) CA2ZDHHC7CA1GRIK1GRIK2
SCHEMBL18869115 0.77 CA2 (0.50) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL18873711 0.77 CA2 (0.50) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL18873517 0.77 CA2 (0.50) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL24462639 0.77 CA2 (0.43) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL21486156 0.77 CA2 (0.43) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL21482210 0.77 CA2 (0.43) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL22198721 0.77 CA2 (0.43) CA2GRIK1GRIK2GPR84FFAR1
SCHEMBL21482374 0.75 CA2 (0.46) CA2CA1GRIK1GRIK2GPR84

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-06-18 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-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors SSB, MAPKAPK5, BCL9 CA2 3443/4885ZDHHC7 2467/4885CA1 3988/4885

“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.