SCHEMBL794953

SCHEMBL794953

CCC(=O)NCc1cnc(N2CCC(c3cc(C(F)(F)F)cc(C(F)(F)F)c3)(C(F)(F)F)C2)cc1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
EPHX2 P34913 2/20 0.32
SMN1; SMN2 Q16637 5/20 0.32
CYP3A4 P08684 3/20 0.32
TSHR P16473 3/20 0.32
CYP2D6 P10635 3/20 0.32
CYP1A2 P05177 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 3/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TACR1 P25103 2/20 0.31
USP2 O75604 2/20 0.31
CYP2C9 P11712 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 2/20 0.30
FFAR4 Q5NUL3 1/20 0.30
ALOX15 P16050 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
SCHEMBL15466655 0.91 EPHX2 (0.34) EPHX2
SCHEMBL795219 0.91 KDM4E (0.34) ALDH1A1SMN1; SMN2CYP3A4TSHRCYP2D6
SCHEMBL15466757 0.90 P2RX7 (0.34) ALDH1A1EPHX2MAPT
SCHEMBL807955 0.89 EPHX2 (0.40) EPHX2TSHRCYP2C9
SCHEMBL17857815 0.84 TRPV1 (0.38) EPHX2MAPT
SCHEMBL15466559 0.83 NR1H2 (0.36) SMN1; SMN2CYP3A4TSHRCYP2D6CYP1A2
SCHEMBL794993 0.83 SCD (0.38) ALDH1A1SMN1; SMN2CYP3A4TSHRCYP2D6
SCHEMBL798214 0.82 EPHX2 (0.35) EPHX2
SCHEMBL795833 0.82 CYP1A2 (0.34) ALDH1A1SMN1; SMN2CYP3A4TSHRCYP2D6
SCHEMBL794663 0.82 P2RX7 (0.33) EPHX2

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 4 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-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

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 ALDH1A1 322/4885EPHX2 1332/4885SMN1; 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.