SCHEMBL3877196

SCHEMBL3877196

O=C(O)CC(O)CCCCc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.71
MMP12 P39900 4/20 0.63
MMP13 P45452 3/20 0.63
MMP2 P08253 1/20 0.63
MMP9 P14780 1/20 0.63
MMP14 P50281 1/20 0.63
TRPV1 Q8NER1 2/20 0.62
MAPT P10636 1/20 0.55
RXFP1 Q9HBX9 1/20 0.55
HDAC3 O15379 1/20 0.53
MAPK1 P28482 1/20 0.53
ADRA1A P35348 1/20 0.53
HDAC4 P56524 1/20 0.53
SLC6A3 Q01959 1/20 0.53
HDAC1 Q13547 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC2 Q92769 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL16320515 0.98 TRPA1 (0.74) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL28009949 0.95 MMP12 (0.65) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL1063147 0.95 MMP12 (0.65) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL687094 0.87 MMP12 (0.80) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL4745347 0.87 MMP12 (0.80) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL8333817 0.87 MMP12 (0.80) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL10095138 0.86 TRPA1 (0.68) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL6796065 0.85 TRPA1 (0.70) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL29141353 0.85 DPP4 (0.66) TRPA1MMP12MMP13MMP2MMP9
SCHEMBL19682101 0.83 TRPA1 (0.67) TRPA1TRPV1MAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7527963-B2 Acetyl-CoA acyltransferase gene disrupted bacterium for producing polyhydroxyalkanoate and method for producing polyhydroxyalkanoate using the same CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed
EP-1984500-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2008-10-29 EP disclosed
WO-2007084488-A2 ADAM10 AND ITS USES RELATED TO INFECTION VANDERBILT UNIVERSITY (US) 2007-07-26 WO disclosed
US-20060172399-A1 Acetyl-CoA acyltransferase gene disrupted bacterium for producing polyhydroxyalkanoate and method for producing polyhydroxyalkanoate using the same CANON KABUSHIKI KAISHA (JP) 2006-08-03 US disclosed
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 TRPA1 724/4885MMP12 132/4885MMP13 49/4885

“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.