SCHEMBL6466477

SCHEMBL6466477

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.39
CACNB3 P54284 1/20 0.39
CACNA1C Q13936 1/20 0.39
PGR P06401 1/20 0.39
ADRA1A P35348 1/20 0.39
HTR2B P41595 1/20 0.39
CACNA2D2 Q9NY47 1/20 0.39
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
CA1 P00915 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
ALDH1A1 P00352 1/20 0.35
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34

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
SCHEMBL6460876 0.86 BLM (0.45) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6465236 0.86 BLM (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL7182525 0.85 KDM4C (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6460719 0.85 KDM4C (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6462902 0.85 KDM4C (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL5741494 0.85 KDM4C (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1132537 0.78 CACNA2D1 (0.50) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL1132152 0.78
SCHEMBL1262446 0.76 SLC22A6 (0.50) CACNA2D1CACNB3CACNA1CSLC22A6TDP1
SCHEMBL11762978 0.75 FOLH1 (0.52) SLC1A3SLC1A2SLC1A1SLC22A6CYP2D6

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 CACNA2D1 2918/4885CACNB3 1846/4885CACNA1C 1607/4885

“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.