SCHEMBL6465816

SCHEMBL6465816

O=C(O)CC(Cl)CCCCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
TRPA1 O75762 1/20 0.53
HDAC1 Q13547 3/20 0.52
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
TRPV1 Q8NER1 1/20 0.47
KEAP1 Q14145 1/20 0.46

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
SCHEMBL6463417 0.95 HDAC3 (0.53) MAPTRXFP1TRPA1HDAC1HDAC3
SCHEMBL6462807 0.87 MMP12 (0.53) HDAC1HDAC3MAPK1ADRA1AHDAC4
SCHEMBL3877196 0.81 TRPA1 (0.71) MAPTRXFP1TRPA1HDAC1HDAC3
SCHEMBL16320515 0.79 TRPA1 (0.74) MAPTRXFP1TRPA1HDAC1HDAC3
SCHEMBL6049800 0.79 S1PR2 (0.63) MAPTRXFP1TRPA1HDAC1HDAC3
SCHEMBL6465668 0.79 MAPT (0.53) MAPTRXFP1TRPA1HDAC1HDAC3
SCHEMBL31229953 0.79 MAPT (0.52) MAPTRXFP1TRPA1HDAC1HDAC3
SCHEMBL5074784 0.78 MAPT (0.56) MAPTRXFP1TRPA1HDAC1HDAC3
SCHEMBL14016007 0.78 MAPT (0.56) MAPTRXFP1TRPA1HDAC1HDAC3
SCHEMBL1133621 0.77 MAPT (0.55) MAPTRXFP1TRPA1HDAC1HDAC3

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 MAPT 4347/4885RXFP1 4002/4885TRPA1 724/4885

“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.