SCHEMBL5596730

SCHEMBL5596730

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.40
FFAR3 O14843 1/20 0.40
GRIA4 P48058 1/20 0.40
GRIK3 Q13003 1/20 0.40
GRIK5 Q16478 1/20 0.40
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.32
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
PGGT1B P53609 1/20 0.32
ALOX15 P16050 3/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30

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
SCHEMBL2636263 1.00 GRIK1 (0.40) GRIK1FFAR3GRIA4GRIK3GRIK5
Hydrochloric Acid SCHEMBL5902498 0.97 GRIK1 (0.39) GRIK1FFAR3GRIA4GRIK3GRIK5
SCHEMBL9763822 0.84 GRIK1 (0.38) GRIK1FFAR3GRIA4GRIK3GRIK5
SCHEMBL8884306 0.82 FFAR3 (0.42) GRIK1FFAR3GRIA4GRIK3GRIK5
SCHEMBL4152299 0.82 FFAR3 (0.42) GRIK1FFAR3GRIA4GRIK3GRIK5
SCHEMBL4152296 0.82 FFAR3 (0.42) GRIK1FFAR3GRIA4GRIK3GRIK5
SCHEMBL4621796 0.82 FFAR3 (0.42) GRIK1FFAR3GRIA4GRIK3GRIK5
SCHEMBL4152302 0.82 FFAR3 (0.42) GRIK1FFAR3GRIA4GRIK3GRIK5
SCHEMBL18047813 0.80
SCHEMBL3357443 0.80 TDP1 (0.35) FFAR3LDHALDHBTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113164789-A Composition comprising an encapsulate 宝洁公司 2021-07-23 CN disclosed
EP-1814924-A2 AMPHIPHILIC STAR BLOCK COPOLYMERS FIRMENICH SA (CH) 2007-08-08 EP disclosed
US-20070160561-A1 AMPHIPHILIC STAR BLOCK COPOLYMERS FIRMENICH SA (CH) 2007-07-12 US disclosed
WO-2006038110-A2 AMPHIPHILIC STAR BLOCK COPOLYMERS FIRMENICH SA (CH) 2006-04-13 WO 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-20070160561-A1 AMPHIPHILIC STAR BLOCK COPOLYMERS ABCB4, ABCB7, ABCC5 GRIK1 3261/4885FFAR3 30/4885GRIA4 3399/4885

“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.