SCHEMBL11989362

SCHEMBL11989362

CCOC(=O)OC1=C(c2c(C)cc(C)cc2C)C(=O)NC12CCC(COC)CC2

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.46
ACACA Q13085 3/20 0.46
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 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
SCHEMBL734013 0.86 ACACB (0.55) ACACBACACA
SCHEMBL12460526 0.84 ACACB (0.43) ACACBACACACYP1A2CYP3A4CYP2C19
SCHEMBL15489246 0.84 ACACB (0.40) ACACBACACACYP1A2CYP3A4CYP2C19
SCHEMBL2759750 0.84 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19POLB
SCHEMBL16477702 0.83 ACACB (0.33) ACACBACACACYP1A2CYP3A4CYP2C19
SCHEMBL13527320 0.82 ACACB (0.38) ACACBACACACYP1A2CYP3A4CYP2C19
SCHEMBL733886 0.82 ACACB (0.61) ACACBACACA
SCHEMBL2759754 0.82 CYP1A2 (0.33) CYP1A2CYP3A4CYP2C19POLB
SCHEMBL737930 0.82 ACACB (0.45) ACACBACACA
SCHEMBL14129279 0.82 ACACB (0.40) ACACBACACACYP1A2CYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1962599-B1 INSECTICIDE COMPOUNDS WITH IMPROVED EFFECT BAYER IP GMBH (DE) 2016-03-16 EP disclosed
US-9204640-B2 2-acyloxy-pyrrolin-4-ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-9204640-B2 2-acyloxy-pyrrolin-4-ones BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
EP-2681191-B1 2-ACYLOXY-PYRROLIN-4-ONES BAYER IP GMBH (DE) 2015-09-02 EP disclosed
US-20140057790-A1 2-ACYLOXY-PYRROLIN-4-ONES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-02-27 US disclosed
US-20140057790-A1 2-ACYLOXY-PYRROLIN-4-ONES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2014-02-27 US disclosed
US-8247351-B2 Insecticidal compositions having improved effect BAYER CROPSCIENCE AG (DE) 2012-08-21 US disclosed
US-8247351-B2 Insecticidal compositions having improved effect BAYER CROPSCIENCE AG (DE) 2012-08-21 US disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
US-20090209513-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2009-08-20 US disclosed
WO-2007068428-A2 INSECTICIDAL COMPOSITIONS CONTAINING PHENYL-SUBSTITUTED CYCLIC KETOENOLS BAYER CROPSCIENCE AG (DE) 2007-06-21 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-20090209513-A1 Insecticidal Compositions Having Improved Effect PTEN, PIK3CG, PIK3CD ACACB 632/4885ACACA 382/4885CYP1A2 1386/4885
US-20140057790-A1 2-ACYLOXY-PYRROLIN-4-ONES ATL3, PLCG2, PLCG1 ACACB 23/4885ACACA 59/4885CYP1A2 1681/4885

“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.