SCHEMBL793959

SCHEMBL793959

C1CC(CCCC2CC2)C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
SIGMAR1 Q99720 4/20 0.48
SLC18A3 Q16572 1/20 0.38
CEL P19835 2/20 0.34
ALDH1A1 P00352 1/20 0.33
ESR2 Q92731 1/20 0.33
EPHX1 P07099 1/20 0.32
LMNA P02545 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KDM5A P29375 1/20 0.31
KDM4C Q9H3R0 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31

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
SCHEMBL1207447 0.93 CYP1A2 (0.60) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL8080519 0.90 CYP1A2 (0.65) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL5179125 0.89
SCHEMBL454467 0.86 CYP1A2 (0.68) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL10579794 0.86 CYP1A2 (0.68) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL4969658 0.86 CYP1A2 (0.68) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL11503388 0.86 CYP1A2 (0.68) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL10643742 0.86 SIGMAR1 (0.62) CYP1A2SIGMAR1SLC18A3CELEPHX1
SCHEMBL1758254 0.85
SCHEMBL30105388 0.83 SIGMAR1 (0.67) CYP1A2SIGMAR1CELEPHX1KDM5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP claimed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9206122-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-12-08 US disclosed
US-20150025253-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-01-22 US disclosed
EP-2825532-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2015-01-21 EP disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
WO-2013135724-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-09-19 WO disclosed
EP-2616437-A1 PESTICIDAL ARYLPYRROLIDINES Bayer Intellectual Property GmbH (DE) 2013-07-24 EP disclosed
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT CYP1A2 28/4885SIGMAR1 883/4885SLC18A3 924/4885
US-20150025253-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, NPEPPS CYP1A2 15/4885SIGMAR1 2213/4885SLC18A3 2575/4885

“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.