SCHEMBL6580918

SCHEMBL6580918

C[Si](C)(C)C#Cc1ccc(C(=O)O)cc1OCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.52
XDH P47989 1/20 0.49
MRGPRX4 Q96LA9 5/20 0.48
RXRA P19793 2/20 0.48
RXRB P28702 1/20 0.48
RXRG P48443 1/20 0.48
PTGER1 P34995 2/20 0.47
NR4A2 P43354 2/20 0.47
NR4A1 P22736 1/20 0.47
NR4A3 Q92570 1/20 0.47
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMPD1 P17405 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL7930623 0.82 XDH (0.49) XDHMRGPRX4HPGDRAB9A
SCHEMBL6580931 0.80 RXRA (0.54) MAP4K4XDHMRGPRX4RXRARXRB
SCHEMBL5281760 0.80 ALDH1A1 (0.46) HPGD
SCHEMBL6583173 0.77 MRGPRX4 (0.53) MAP4K4MRGPRX4RXRARXRBPTGER1
SCHEMBL29556736 0.76 MRGPRX4 (0.62) MRGPRX4RXRARXRBRXRGPTGER1
SCHEMBL1600077 0.76 MRGPRX4 (0.62) MRGPRX4RXRARXRBRXRGPTGER1
SCHEMBL29179211 0.76 MAP4K4 (0.58) MAP4K4MRGPRX4RXRARXRBRXRG
SCHEMBL69666 0.76 RXRA (0.70) MRGPRX4RXRARXRBRXRGPTGER1
SCHEMBL18715881 0.75 MAPT (0.43) SMN1; SMN2
SCHEMBL31056705 0.75 PTGER1 (0.40) XDHMRGPRX4PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications FARINA CARLO (IT) 2004-11-25 US disclosed
EP-1212317-B1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS NIKEM RESEARCH SRL (IT) 2004-09-15 EP disclosed
US-6787550-B1 4-(5,6-DICHLORO-1H-INDOL-2-YL)-3-ETHOXY-N-(2,2,6,6 -TETRAMETHYLTETRAMETHYLPIPERIDIN-4-YL)-BENZAMIDE NIKEM RESEARCH S.R.L. (IT) 2004-09-07 US disclosed
EP-1212317-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GlaxoSmithKline S.p.A. (IT) 2002-06-12 EP disclosed
WO-2001002388-A1 INDOLE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF OSTEOPOROSIS AMONGST OTHER APPLICATIONS GLAXOSMITHKLINE S.P.A. (IT) 2001-01-11 WO 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-20040235930-A1 Indole derivatives and their use for the treatment of osteoporosis amongst other applications MALT1, SOST, NFATC1 MAP4K4 3529/4885XDH 626/4885MRGPRX4 1453/4885

“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.