SCHEMBL7168995

SCHEMBL7168995

O=C(O)c1ccc(C(=O)c2ccc(Oc3ccc(C(=O)O)c(C(=O)O)c3)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.84
SRD5A2 P31213 4/20 0.66
L3MBTL1 Q9Y468 2/20 0.63
APEX1 P27695 1/20 0.63
CTDSP1 Q9GZU7 1/20 0.63
HPSE Q9Y251 1/20 0.55
TDP1 Q9NUW8 4/20 0.54
PARP15 Q460N3 1/20 0.53
PARP10 Q53GL7 1/20 0.53
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GALK1 P51570 1/20 0.49
CASP6 P55212 1/20 0.49
MCL1 Q07820 1/20 0.49
PLEC Q15149 1/20 0.49
RXRA P19793 1/20 0.49
RXRB P28702 1/20 0.49
RXRG P48443 1/20 0.49
CDC25A P30304 1/20 0.47
CDC25B P30305 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
SCHEMBL29405908 0.96 POLB (0.90) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL423130 0.96 POLB (0.90) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL30954662 0.95 POLB (0.75) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL9330497 0.95 POLB (0.75) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL6865190 0.95 POLB (0.75) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL1514581 0.93 POLB (0.73) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL5963366 0.92 POLB (1.00) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL5057995 0.90 POLB (0.74) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL30636807 0.90 POLB (0.69) POLBSRD5A2L3MBTL1APEX1CTDSP1
SCHEMBL29155507 0.90 POLB (0.69) POLBSRD5A2L3MBTL1APEX1CTDSP1

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-20030083505-A1 Spinal cord injury, demyelinating diseases, Parkinson's disease, Amyotrophic Lateral Sclerosis, alcohol, nicotine, cocaine dependence, neuropathy, pain and schizophrenia; antiischemic, - carcinogenic agents; NAALADase inhibitors EISAI INC. 2003-05-01 US claimed

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-20030083505-A1 Spinal cord injury, demyelinating diseases, Parkinson's disease, Amyotrophic Lateral Sclerosis, alcohol, nicotine, cocaine dependence, neuropathy, pain and schizophrenia; antiischemic, - carcinogenic agents; NAALADase inhibitors NGF, GAP43, ACHE POLB 414/4885SRD5A2 3688/4885L3MBTL1 1174/4885

“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.