SCHEMBL6697141

SCHEMBL6697141

CCOC(=O)CC(c1c[nH]c2cc(O)ccc12)c1cccc2nsnc12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
PKM P14618 2/20 0.36
KDM4E B2RXH2 5/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 3/20 0.36
CASP1 P29466 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TP53 P04637 3/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 2/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
IMPDH2 P12268 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL6696240 0.87 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2KDM4EHPGDHSD17B10
SCHEMBL6693907 0.83 GAA (0.42) POLBALDH1A1PKMKDM4EHPGD
SCHEMBL6699406 0.81 PKM (0.41) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL6694072 0.81 GAA (0.43) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL6165678 0.79 GAA (0.49) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL6695205 0.78 GAA (0.57) ALDH1A1PKMKDM4EHPGDHSD17B10
SCHEMBL6170334 0.78 IMPDH2 (0.45) PKMKMT2AGAAMGAMSI
SCHEMBL6692536 0.77 GAA (0.53) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL6697744 0.77 PKM (0.38) ALDH1A1SMN1; SMN2PKMKDM4EHPGD
SCHEMBL6697051 0.76 GAA (0.52) PKMKMT2AGAAMGAMSI

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-20040138284-A1 Indol-3-yl derivatives WIESNER MATTHIAS 2004-07-15 US disclosed
US-6743810-B2 INTEGRIN INHIBITORS; TUMORS, OSTEOPOROSIS, OSTEOLYTIC DISEASES, SUPPRESSING ANGIOGENESIS, ANTITHROMBOTIC MERCK PATENT GMBH (DE) 2004-06-01 US disclosed
US-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation MERCK PATENT GMBH (DE) 2003-03-06 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-20030045728-A1 Liberating 3-substituted indole compound from one of its functional derivatives by treatment with a solvolyzing or hydrogenating agent, amidation, saponification, alkylation or acylation, or salt formation IGF1R, IDO1, ITGB3 POLB 3616/4885ALDH1A1 2063/4885SMN1; SMN2 1683/4885
US-20040138284-A1 Indol-3-yl derivatives ITGB3, ITGB1, IGF1R POLB 3012/4885ALDH1A1 2529/4885SMN1; SMN2 2180/4885

“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.