SCHEMBL6462796

SCHEMBL6462796

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGD P52209 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.37
GABRR1 P24046 2/20 0.36
LMNA P02545 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CACNA2D1 P54289 2/20 0.34
ADRA1A P35348 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
CYP2C19 P33261 1/20 0.34
PGR P06401 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34
GPR84 Q9NQS5 2/20 0.33
TP53 P04637 1/20 0.33
HMGCR P04035 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL667280 0.77 PGD (0.50) PGDSLC22A6SMN1; SMN2MAPTGABRR1
SCHEMBL6805671 0.77 PGD (0.50) PGDSLC22A6SMN1; SMN2MAPTGABRR1
SCHEMBL6803525 0.77 PGD (0.50) PGDSLC22A6SMN1; SMN2MAPTGABRR1
Ammonia Solution, Strong SCHEMBL27881579 0.75 PGD (0.48) PGDSLC22A6SMN1; SMN2MAPTGABRR1
SCHEMBL20131344 0.74 TDP1 (0.39) PGDSLC22A6SMN1; SMN2TDP1CACNA2D1
SCHEMBL6465601 0.74 SLC22A6 (0.35) PGDSLC22A6SMN1; SMN2MAPTGABRR1
SCHEMBL6463740 0.74 SLC22A6 (0.35) PGDSLC22A6SMN1; SMN2MAPTGABRR1
SCHEMBL4988027 0.74 GABRP (0.38) PGDSLC22A6MAPTGABRR1LMNA
SCHEMBL3650683 0.73 PGD (0.47) PGDSLC22A6SMN1; SMN2MAPTGABRR1
SCHEMBL25660449 0.73 PGD (0.47) PGDSLC22A6SMN1; SMN2MAPTGABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903233-B2 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2005-06-07 US disclosed
US-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester TAKASAGO INTERNATIONAL CORPORATION (JP) 2003-12-04 US disclosed
EP-1344763-A1 Process for producing optically active 3-halogenocarboxylic acid esters and 3-azide-carboxylic acid esters Takasago International Corporation (JP) 2003-09-17 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 (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-20030225301-A1 Process for producing optically active 3-halogenocarboxylic acid ester and 3-azidocarboxylic acid ester HDHD5, APEH, AOC3 PGD 919/4885SLC22A6 1264/4885SMN1; SMN2 4325/4885

“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.