SCHEMBL11989360

SCHEMBL11989360

Cc1cc(C)c(C2=C(O)C3(CCCCC3)CC2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ACHE P22303 1/20 0.33
KDM4E B2RXH2 3/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 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
SCHEMBL10199553 0.84 GLA (0.35) TSHRKDM4EHTTATMGAA
SCHEMBL812271 0.82 ACACB (0.37) ALDH1A1
SCHEMBL2349711 0.77 ACACB (0.34) ESR1ALDH1A1LMNA
SCHEMBL18805640 0.76 TSHR (0.38) TSHRACHEKDM4EHTTATM
SCHEMBL6113429 0.74 ACACB (0.42) KDM4EHTTATM
SCHEMBL14395135 0.73 BIRC5 (0.34) KDM4EHTTATMESR1ESR2
SCHEMBL18786780 0.71 ACHE (0.38) TSHRACHEKDM4EHTTATM
SCHEMBL2352633 0.70 CNR1 (0.39) ESR1ALDH1A1
SCHEMBL2355616 0.70 ACACB (0.50)
SCHEMBL11986867 0.70 TSHR (0.39) TSHRKDM4ELMNAMAPT

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 TSHR 4115/4885ACHE 145/4885KDM4E 367/4885
US-20090209513-A1 Insecticidal Compositions Having Improved Effect PTEN, PIK3CG, PIK3CD TSHR 4566/4885ACHE 19/4885KDM4E 142/4885

“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.