SCHEMBL13699040

SCHEMBL13699040

CC(C)C/C=C/c1cccc(C(N)=O)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 6/20 0.45
HTR2A P28223 3/20 0.42
GRIK1 P39086 4/20 0.42
GRIK2 Q13002 4/20 0.42
TTR P02766 2/20 0.39

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
SCHEMBL13699195 0.83 PARP1 (0.49) PARP1TTR
SCHEMBL10414534 0.81 PARP1 (0.47) PARP1TTR
SCHEMBL10414532 0.81 PARP1 (0.47) PARP1TTR
SCHEMBL20810556 0.78 FAAH (0.46) PARP1
SCHEMBL7615559 0.77 PARP1 (0.53) PARP1TTR
SCHEMBL7785229 0.76 PARP1 (0.44) PARP1TTR
SCHEMBL20810331 0.75 PARP1 (0.39) PARP1GRIK1GRIK2TTR
SCHEMBL28179497 0.75 TTR (0.59) PARP1TTR
SCHEMBL6170785 0.74 GLA (0.56) PARP1
SCHEMBL6170786 0.74 GLA (0.56) PARP1

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-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 US 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 (2 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 PARP1 3253/4885HTR2A 3602/4885GRIK1 4440/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 PARP1 4713/4885HTR2A 4055/4885GRIK1 4589/4885

“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.