SCHEMBL13699195

SCHEMBL13699195

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.49
TTR P02766 2/20 0.42
PARP10 Q53GL7 3/20 0.41
PARP15 Q460N3 1/20 0.41
TSHR P16473 1/20 0.40
PARP14 Q460N5 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
FBP1 P09467 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC1 Q13547 1/20 0.40

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
SCHEMBL10414534 0.85 PARP1 (0.47) PARP1TTRPARP10PARP15TSHR
SCHEMBL10414532 0.85 PARP1 (0.47) PARP1TTRPARP10PARP15TSHR
SCHEMBL880074 0.85 TTR (0.58) TTRKMT2AFBP1
SCHEMBL20810556 0.84 FAAH (0.46) PARP1TSHRMEN1KMT2A
SCHEMBL5329183 0.84 PARP1 (0.53) PARP1PARP10PARP15TSHRPARP14
SCHEMBL14292511 0.83 KDM1A (0.39) TTRPTGS1PTGS2FBP1HDAC3
SCHEMBL13699040 0.83 PARP1 (0.45) PARP1TTR
SCHEMBL7615559 0.81 PARP1 (0.53) PARP1TTRPARP10PARP15TSHR
SCHEMBL10881897 0.81 HPGD (0.42) TTRTSHRFBP1HDAC3HDAC1
SCHEMBL14604961 0.81 P4HB (0.58) TSHRMEN1KMT2A

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 3253/4885TTR 4451/4885PARP10 2573/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 PARP1 4713/4885TTR 2094/4885PARP10 4086/4885

“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.