SCHEMBL11989359

SCHEMBL11989359

COC1CCC2(CC1)OC(=O)C(c1c(C)cc(C)cc1C)=C2O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
TSHR P16473 2/20 0.34
CHRM2 P08172 2/20 0.31
CHRM4 P08173 2/20 0.31
CHRM5 P08912 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
BACE1 P56817 1/20 0.31
MAPT P10636 3/20 0.31
ALDH1A1 P00352 1/20 0.30
RECQL P46063 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL11989367 0.92 MAPT (0.35) ACACBACACATSHRMAPTALDH1A1
SCHEMBL812254 0.90 BACE1 (0.34) ACACBACACATSHRBACE1MAPT
SCHEMBL27374303 0.89 TSHR (0.33) TSHRMAPT
SCHEMBL30737090 0.86 TSHR (0.36) TSHRMAPT
SCHEMBL30737150 0.85 TSHR (0.31) TSHR
SCHEMBL27378208 0.85 TSHR (0.31) TSHR
SCHEMBL811977 0.84 ACACB (0.44) ACACBACACABACE1
SCHEMBL11989368 0.83 ALDH1A1 (0.40) ACACBACACATSHRMAPTALDH1A1
SCHEMBL13039853 0.83 TSHR (0.32) TSHR
SCHEMBL11986867 0.83 TSHR (0.39) TSHRMAPT

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-1962599-B1 INSECTICIDE COMPOUNDS WITH IMPROVED EFFECT BAYER IP GMBH (DE) 2016-03-16 EP 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-20110294783-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2011-12-01 US disclosed
US-20110294783-A1 Insecticidal Compositions Having Improved Effect BAYER CROPSCIENCE AG (DE) 2011-12-01 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-20110294783-A1 Insecticidal Compositions Having Improved Effect FASN, CYP51A1, PIKFYVE ACACB 58/4885ACACA 41/4885TSHR 4115/4885
US-20090209513-A1 Insecticidal Compositions Having Improved Effect PTEN, PIK3CG, PIK3CD ACACB 632/4885ACACA 382/4885TSHR 4566/4885

“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.