SCHEMBL5223967

SCHEMBL5223967

CC(C)(C)[Si](C)(C)Oc1ccc2[nH]c(=O)oc(=O)c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 10/20 0.53
MAOB P27338 10/20 0.53
ACHE P22303 2/20 0.50
CA12 O43570 4/20 0.48
CA1 P00915 4/20 0.48
CA9 Q16790 4/20 0.48
F2 P00734 1/20 0.44
CFD P00746 1/20 0.44
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
PREP P48147 2/20 0.37
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOS1 P29475 1/20 0.36

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
SCHEMBL6871263 0.82 MAOA (0.55) MAOAMAOBACHEF2CFD
SCHEMBL30957317 0.80 CA12 (0.56) CA12CA1CA9PDE3BPDE3A
SCHEMBL244105 0.80 CA12 (0.56) CA12CA1CA9PDE3BPDE3A
SCHEMBL1318938 0.79 MAOA (0.70) MAOAMAOBACHEF2CFD
SCHEMBL29892520 0.79 MAOA (0.70) MAOAMAOBACHEF2CFD
SCHEMBL31151868 0.79 MAOA (0.62) MAOAMAOBACHEF2CFD
SCHEMBL25914688 0.79 MAOA (0.62) MAOAMAOBACHEF2CFD
SCHEMBL12847264 0.75 KDM4E (0.57) MAOAMAOBACHEF2CFD
SCHEMBL28536275 0.75 CA12 (0.44) CA12CA1CA9PREPKDM4E
SCHEMBL9177178 0.75 GHSR (0.48) CA12CA1CA9PREPKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
US-20050245563-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-11-03 US disclosed
WO-2005028474-A2 PYRAZOLOQUINOLINE DERIVATIVES AS CHK-1 INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2005-03-31 WO disclosed
US-6605626-B2 Benzamide inhibitors of factor Xa ELI LILLY AND COMPANY 2003-08-12 US disclosed
US-20020120007-A1 Benzamide inhibitors of factor Xa BEIGHT DOUGLAS WADE (US) 2002-08-29 US disclosed
US-6313122-B1 AS INHIBITORS OF FACTOR XA AND ARE USED AS ANTICOAGULANTS IN MAMMALS ELI LILLY AND COMPANY 2001-11-06 US disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 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 (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-20050245563-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 MAOA 4860/4885MAOB 4787/4885ACHE 4600/4885
US-20020120007-A1 Benzamide inhibitors of factor Xa TFPI, F11, F12 MAOA 129/4885MAOB 118/4885ACHE 999/4885

“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.