SCHEMBL794900

SCHEMBL794900

O=C(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 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASPH Q12797 1/20 0.36
CYP3A4 P08684 5/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
TSHR P16473 4/20 0.36
CYP2D6 P10635 3/20 0.36
CYP1A2 P05177 2/20 0.36
USP2 O75604 3/20 0.35
CYP2C9 P11712 3/20 0.35
HSD17B10 Q99714 2/20 0.34
FFAR4 Q5NUL3 2/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
MAPK1 P28482 1/20 0.34
HIF1A Q16665 1/20 0.34
TACR1 P25103 1/20 0.34
SCN10A Q9Y5Y9 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 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
SCHEMBL794399 0.88 LCAT (0.40) CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2
SCHEMBL794993 0.82 SCD (0.38) CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2
SCHEMBL794456 0.81 SCD (0.36) CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2
SCHEMBL807897 0.80 AR (0.33) CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2
SCHEMBL795219 0.80 KDM4E (0.34) CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2
SCHEMBL794953 0.78 ALDH1A1 (0.35) CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2
SCHEMBL807955 0.78 EPHX2 (0.40) TSHRCYP2C9
SCHEMBL14127309 0.76 ITGAL (0.42) CYP3A4SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL807895 0.75 TSHR (0.35) CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2
SCHEMBL10279151 0.75 MAPT (0.40) CYP3A4SMN1; SMN2TSHRCYP2D6CYP1A2

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 7 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
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 ASPH 1255/4885CYP3A4 77/4885SMN1; 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.