SCHEMBL3464474

SCHEMBL3464474

O=Cc1ccc(C=Cc2ccc(OC(F)(F)F)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP2A6 P11509 1/20 0.47
PIM1 P11309 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
EPHX2 P34913 2/20 0.45
FAAH O00519 1/20 0.45
GRIK1 P39086 1/20 0.43
GRIK2 Q13002 1/20 0.43
DRD1 P21728 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
ALDH1A3 P47895 1/20 0.42
KMT2A Q03164 2/20 0.42
STS P08842 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL3464472 1.00 CYP2D6 (0.48) CYP2D6ALDH1A1CYP2A6PIM1PIM2
SCHEMBL97114 0.94 ALDH1A1 (0.52) CYP2D6ALDH1A1CYP2A6PIM1PIM2
Hydrochloric Acid SCHEMBL3539828 0.92 ALDH1A1 (0.50) CYP2D6ALDH1A1CYP2A6PIM1PIM2
Formaldehyde SCHEMBL28016257 0.90 ALDH1A1 (0.48) CYP2D6ALDH1A1CYP2A6PIM1PIM2
Ethylene SCHEMBL27779893 0.90 ALDH1A1 (0.48) CYP2D6ALDH1A1CYP2A6PIM1PIM2
SCHEMBL13790221 0.89 CYP2D6 (0.50) CYP2D6PIM1PIM2EPHX2GRIK1
SCHEMBL1744566 0.88 PARP10 (0.50) CYP2D6ALDH1A1CYP2A6PIM1PIM2
SCHEMBL505301 0.88 DRD1 (0.56) ALDH1A1CYP2A6PIM1PIM2EPHX2
SCHEMBL27556434 0.85 STS (0.47) CYP2D6ALDH1A1CYP2A6PIM1PIM2
SCHEMBL9607433 0.85 ALDH1A1 (0.49) ALDH1A1CYP2A6PIM1PIM2EPHX2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396338-B1 PESTICIDAL COMPOSITIONS DOW AGROSCIENCES LLC (US) 2014-03-26 EP disclosed
US-8394774-B2 Pesticidal compositions DOW AGROSCIENCES, LLC. (US) 2013-03-12 US disclosed
US-20100204165-A1 Pesticidal Compositions DOW AGROSCIENCES LLC (US) 2010-08-12 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 (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-20100204165-A1 Pesticidal Compositions ACHE, DDT, PTMS CYP2D6 1299/4885ALDH1A1 2560/4885CYP2A6 1151/4885

“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.