SCHEMBL13103239

SCHEMBL13103239

CCOC1(C)CCC2(CC1)NC(=O)C(c1c(C)cc(C)cc1C)=C2O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 11/20 0.45
ACACA Q13085 11/20 0.45
NR2F2 P24468 1/20 0.32
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL13103228 0.92 ACACB (0.52) ACACBACACA
SCHEMBL13103222 0.86 ACACB (0.58) ACACBACACA
SCHEMBL13103243 0.86 ACACB (0.49) ACACBACACA
SCHEMBL13103237 0.81 ACACB (0.34) ACACBACACA
SCHEMBL37090 0.80 ACACB (0.38) ACACBACACA
SCHEMBL13039858 0.80 ACACB (0.43) ACACBACACA
SCHEMBL15472959 0.80 ACACB (0.40) ACACBACACA
SCHEMBL12285257 0.78 ACACB (0.38) ACACBACACA
SCHEMBL12362105 0.78 ACACB (0.38) ACACBACACANPC1RAB9A
SCHEMBL12362070 0.78 ACACB (0.39) ACACBACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846946-B2 Germinal alkoxy/alkylspirocyclic substituted tetramate derivatives BAYER CROPSCIENCE AG (DE) 2014-09-30 US disclosed
US-8846946-B2 Germinal alkoxy/alkylspirocyclic substituted tetramate derivatives BAYER CROPSCIENCE AG (DE) 2014-09-30 US disclosed
EP-2373619-B1 GEMINAL ALKOXY/ALKYLSPIROCYCLIC SUBSTITUTED TETRAMIC ACID DERIVATES BAYER CROPSCIENCE AG (DE) 2014-09-10 EP disclosed
US-20140213795-A1 GERMINAL ALKOXY/ALKYLSPIROCYCLIC SUBSTITUTED TETRAMATE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-20140213795-A1 GERMINAL ALKOXY/ALKYLSPIROCYCLIC SUBSTITUTED TETRAMATE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-07-31 US disclosed
US-8389443-B2 Geminal alkoxy/alkylspirocyclic substituted tetramate derivatives BAYER CROPSCIENCE AG (DE) 2013-03-05 US disclosed
US-8389443-B2 Geminal alkoxy/alkylspirocyclic substituted tetramate derivatives BAYER CROPSCIENCE AG (DE) 2013-03-05 US disclosed
US-20100261608-A1 Geminal alkoxy/alkylspirocyclic substituted tetramate derivatives BAYER CROPSCIENCE AG (DE) 2010-10-14 US disclosed
US-20100261608-A1 Geminal alkoxy/alkylspirocyclic substituted tetramate derivatives BAYER CROPSCIENCE AG (DE) 2010-10-14 US disclosed
WO-2010063378-A1 GEMINAL ALKOXY/ALKYLSPIROCYCLIC SUBSTITUTED TETRAMIC ACID DERIVATES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2010-06-10 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-20140213795-A1 GERMINAL ALKOXY/ALKYLSPIROCYCLIC SUBSTITUTED TETRAMATE DERIVATIVES AGXT, GMNN, GLRX3 ACACB 496/4885ACACA 222/4885NR2F2 4040/4885
US-20100261608-A1 Geminal alkoxy/alkylspirocyclic substituted tetramate derivatives GMNN, AGXT, GEMIN5 ACACB 643/4885ACACA 281/4885NR2F2 4581/4885

“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.