SCHEMBL731914

SCHEMBL731914

COCC1CCC(NC(=O)Cc2cc(C)ccc2C)(C(=O)OC)CC1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACACB O00763 2/20 0.36
ACACA Q13085 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MAPK8 P45983 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
P2RX7 Q99572 1/20 0.33
PARP14 Q460N5 1/20 0.32
ADAMTS4 O75173 1/20 0.32
MMP13 P45452 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL13596568 0.90 NPC1 (0.36) NPC1RAB9AMAPK8FFAR4KMT2A
SCHEMBL14689285 0.89 FFAR4 (0.34) ACACBACACANPC1RAB9AFFAR4
SCHEMBL12458499 0.89 FFAR4 (0.34) ACACBACACANPC1RAB9AFFAR4
SCHEMBL2354489 0.89 FFAR4 (0.34) ACACBACACANPC1RAB9AFFAR4
SCHEMBL16490007 0.88 THRB (0.41) NPC1RAB9AMAPK8KMT2AP2RX7
SCHEMBL16490008 0.88 THRB (0.41) NPC1RAB9AMAPK8KMT2AP2RX7
SCHEMBL30063229 0.87 NPC1 (0.37) ACACBACACANPC1RAB9AMAPK8
SCHEMBL19578935 0.87 NPC1 (0.37) ACACBACACANPC1RAB9AMAPK8
SCHEMBL12778710 0.87 NPC1 (0.37) ACACBACACANPC1RAB9AMAPK8
SCHEMBL12458426 0.86 ACACB (0.49) ACACBACACAP2RX7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943218-B1 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER IP GMBH (DE) 2015-05-06 EP disclosed
US-8138119-B2 Alkoxyalkyl spirocyclic tetramic acids and tetronic acids BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-8138119-B2 Alkoxyalkyl spirocyclic tetramic acids and tetronic acids BAYER CROPSCIENCE AG (DE) 2012-03-20 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
US-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids BAYER CROPSCIENCE AG (DE) 2009-08-27 US disclosed
WO-2007048545-A2 ALKOXYALKYL SPIROCYCLIC TETRAMIC ACIDS AND TETRONIC ACIDS BAYER CROPSCIENCE AG (DE) 2007-05-03 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-20090215624-A1 Alkoxyalkyl Spirocyclic Tetramic Acids and Tetronic Acids DDT, TBCD, TBCA ACACB 1097/4885ACACA 896/4885NPC1 3883/4885

“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.