SCHEMBL794993

SCHEMBL794993

OCc1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCD O00767 5/20 0.38
AR P10275 2/20 0.33
SMN1; SMN2 Q16637 4/20 0.32
TSHR P16473 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP3A4 P08684 3/20 0.32
CYP1A2 P05177 2/20 0.32
USP2 O75604 2/20 0.31
CYP2C9 P11712 2/20 0.31
HSD17B10 Q99714 2/20 0.31
FFAR4 Q5NUL3 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
CYP2C19 P33261 1/20 0.31
DGAT1 O75907 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
SCHEMBL807897 0.89 AR (0.33) SCDARSMN1; SMN2TSHRCYP2D6
SCHEMBL15466143 0.88 SMN1; SMN2 (0.35) SCDSMN1; SMN2TSHRCYP2D6CYP3A4
SCHEMBL795219 0.85 KDM4E (0.34) SMN1; SMN2TSHRCYP2D6CYP3A4CYP1A2
SCHEMBL794953 0.83 ALDH1A1 (0.35) SMN1; SMN2TSHRCYP2D6CYP3A4CYP1A2
SCHEMBL807955 0.82 EPHX2 (0.40) TSHRCYP2C9
SCHEMBL794900 0.82 ASPH (0.36) SMN1; SMN2TSHRCYP2D6CYP3A4CYP1A2
SCHEMBL807895 0.82 TSHR (0.35) SMN1; SMN2TSHRCYP2D6CYP3A4CYP1A2
SCHEMBL794399 0.79 LCAT (0.40) SMN1; SMN2TSHRCYP2D6CYP3A4CYP1A2
SCHEMBL807886 0.79 SCD (0.43) SCDSMN1; SMN2TSHRCYP2D6CYP3A4
SCHEMBL799014 0.78 SCD (0.42) SCDSMN1; SMN2TSHRCYP2D6CYP3A4

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 5 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-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
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 SCD 3104/4885AR 3640/4885SMN1; SMN2 3592/4885

“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.