SCHEMBL794399

SCHEMBL794399

COC(=O)c1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCAT P04180 1/20 0.40
MAPT P10636 1/20 0.38
SMO Q99835 1/20 0.36
KDM4E B2RXH2 2/20 0.35
DDB1 Q16531 2/20 0.34
CRBN Q96SW2 2/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 3/20 0.34
LMNA P02545 2/20 0.34
SCN10A Q9Y5Y9 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PKM P14618 1/20 0.34
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL794900 0.88 ASPH (0.36) SMN1; SMN2TSHRSCN10ACYP2D6CYP1A2
SCHEMBL10279151 0.87 MAPT (0.40) LCATMAPTSMOKDM4EDDB1
SCHEMBL798976 0.86 LCAT (0.38) LCATMAPTSMOKDM4EDDB1
SCHEMBL795219 0.80 KDM4E (0.34) MAPTKDM4ESMN1; SMN2TSHRCYP2D6
SCHEMBL794953 0.79 ALDH1A1 (0.35) MAPTKDM4ESMN1; SMN2TSHRCYP2D6
SCHEMBL794993 0.79 SCD (0.38) SMN1; SMN2TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL807897 0.77 AR (0.33) SMN1; SMN2TSHRCYP2D6CYP1A2CYP3A4
SCHEMBL2891320 0.77 AR (0.50) LCATMAPTSMOKDM4ELMNA
SCHEMBL807955 0.77 EPHX2 (0.40) TSHRCYP2C9
SCHEMBL807900 0.73 NR1H2 (0.43) MAPTKDM4ESMN1; SMN2

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
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-9375000-B2 Pesticidal arylpyrrolidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-06-28 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US disclosed
US-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2014-02-13 US 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
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 (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-20140046069-A1 PESTICIDAL ARYLPYRROLIDINES DDT, ACHE, CAT LCAT 1955/4885MAPT 4280/4885SMO 4235/4885

“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.