SCHEMBL6463740

SCHEMBL6463740

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A6 Q4U2R8 1/20 0.35
CACNA2D1 P54289 2/20 0.33
ADRA1A P35348 2/20 0.33
CACNB3 P54284 1/20 0.33
CACNA1C Q13936 1/20 0.33
PGR P06401 1/20 0.33
HTR2B P41595 1/20 0.33
CACNA2D2 Q9NY47 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PGD P52209 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
GABRR1 P24046 2/20 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
SCHEMBL1132009 0.78 SLC22A6 (0.39) SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL6462796 0.74 PGD (0.46) SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL4988027 0.73 GABRP (0.38) SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL20131344 0.73 TDP1 (0.39) SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL6465601 0.73 SLC22A6 (0.35) SLC22A6CACNA2D1ADRA1ACACNB3CACNA1C
SCHEMBL10866600 0.70 SLC22A6 (0.41) SLC22A6TDP1SMN1; SMN2MAPTCYP2D6
SCHEMBL158448 0.69
SCHEMBL6460798 0.69
SCHEMBL7521295 0.69
SCHEMBL10512546 0.67

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 SLC22A6 1264/4885CACNA2D1 2918/4885ADRA1A 4350/4885

“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.