SCHEMBL4173830

SCHEMBL4173830

COc1ccc(C=CCc2[c]c(C(F)(F)F)ccn2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.40
CYP3A4 P08684 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA7 P36544 2/20 0.39
MAPT P10636 1/20 0.38
NFE2L2 Q16236 1/20 0.38
NQO2 P16083 1/20 0.36
PTGS1 P23219 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4168519 0.89 RELA (0.41) KDM4ENPC1RAB9ASMN1; SMN2HPGD
SCHEMBL4177913 0.88 GRIK1 (0.37) KDM4ENPC1RAB9ACYP2D6CHRNB4
SCHEMBL4167639 0.85 CHRNB2 (0.32) CHRNB4CHRNA3CHRNA7CHRNB2CHRNA4
SCHEMBL4168484 0.84 CHRNB2 (0.39) CYP1A2CHRNB4CHRNA3CHRNA7NQO2
SCHEMBL4174412 0.84 GRM4 (0.35) KDM4EMAPTNFE2L2PTGS1CYP1A1
SCHEMBL4168497 0.83 DCTPP1 (0.35) KDM4ENPC1RAB9ANFE2L2
SCHEMBL4177697 0.83 PDE4B (0.30)
SCHEMBL4170967 0.79 RELA (0.38) CYP3A4NPC1RAB9ASMN1; SMN2CYP1A2
SCHEMBL4174113 0.79 NFE2L2 (0.36) NFE2L2
SCHEMBL4178066 0.77 AHR (0.40)

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-20140179921-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2014-06-26 US disclosed
US-20130197029-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2013-08-01 US disclosed
US-8338443-B2 Chemical compounds SYNGENTA CROP PROTECTION LLC (US) 2012-12-25 US disclosed
US-20090118295-A1 CHEMICAL COMPOUNDS SYNGENTA CROP PROTECTION, INC (US) 2009-05-07 US 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 (3 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-20130197029-A1 CHEMICAL COMPOUNDS MRM1, H1-0, RO60 KDM4E 1142/4885CYP3A4 1629/4885NPC1 1577/4885
US-20140179921-A1 CHEMICAL COMPOUNDS H1-0, REL, ZYX KDM4E 1092/4885CYP3A4 642/4885NPC1 1914/4885
US-20090118295-A1 CHEMICAL COMPOUNDS MRM1, MNS1, CHRM1 KDM4E 1200/4885CYP3A4 1338/4885NPC1 1763/4885

“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.