SCHEMBL7091402

SCHEMBL7091402

COC(=O)C=Cc1cccc(Oc2ccc(C)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.57
ALOX5 P09917 2/20 0.54
PTGS1 P23219 1/20 0.54
PTGS2 P35354 1/20 0.54
BACE1 P56817 1/20 0.52
MAOB P27338 1/20 0.50
NR1H4 Q96RI1 2/20 0.49
KDM5A P29375 1/20 0.49
TTR P02766 1/20 0.49
APP P05067 1/20 0.49
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL7091399 1.00 P2RX3 (0.57) P2RX3ALOX5PTGS1PTGS2BACE1
SCHEMBL7086909 0.90 ALOX5 (0.66) ALOX5PTGS1PTGS2BACE1MAOB
SCHEMBL7086903 0.90 ALOX5 (0.66) ALOX5PTGS1PTGS2BACE1MAOB
SCHEMBL9380189 0.89 CA12 (0.60) ALOX5PTGS1PTGS2BACE1MAOB
SCHEMBL9380196 0.89 CA12 (0.60) ALOX5PTGS1PTGS2BACE1MAOB
SCHEMBL15096171 0.86 CA12 (0.53) P2RX3BACE1TTRAPPKDM4E
SCHEMBL16241596 0.86 CA12 (0.53) P2RX3BACE1TTRAPPKDM4E
SCHEMBL9186034 0.86 ALOX5 (0.58) P2RX3ALOX5PTGS1PTGS2BACE1
SCHEMBL9186040 0.86 ALOX5 (0.58) P2RX3ALOX5PTGS1PTGS2BACE1
SCHEMBL3290633 0.82 MAOB (0.66) MAOBNR1H4KDM4EMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant QUEEN'S UNIVERSITY AT KINGSTON AND NEUROCHEM, INC. 2003-10-16 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 (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-20030194375-A1 Administering 3-aminopropionic acid derivative as anticonvulsant SLC1A2, SLC1A1, SLC1A3 P2RX3 166/4885ALOX5 314/4885PTGS1 662/4885

“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.