SCHEMBL6023992

SCHEMBL6023992

[CH2]c1c(C(F)(F)F)cc(C)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA2 P00918 1/20 0.37
TYR P14679 1/20 0.37
RAPGEF4 Q8WZA2 2/20 0.34
AR P10275 5/20 0.33
TSHR P16473 2/20 0.33
SYK P43405 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31

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
SCHEMBL14601908 0.79 SMN1; SMN2 (0.45) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL18272233 0.78 SMN1; SMN2 (0.40) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL91657 0.78 SMN1; SMN2 (0.40) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL7657209 0.76 SMN1; SMN2 (0.39) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL3190807 0.76 CES2 (0.40) POLBALDH1A1ARTSHRCYP3A4
SCHEMBL809295 0.76 ALDH1A1 (0.56) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL6023334 0.76 IDO1 (0.36) POLBTSHRGLAGAA
SCHEMBL15517270 0.74 RAPGEF4 (0.42) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL81146 0.74 SMN1; SMN2 (0.37) SMN1; SMN2POLBALDH1A1CA2TYR
SCHEMBL14885993 0.74 SMN1; SMN2 (0.37) SMN1; SMN2POLBALDH1A1CA2TYR

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
US-7101900-B2 Benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides BASF AKTIENGESELLSCHAFT (DE) 2006-09-05 US disclosed
US-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides RHEINHEIMER JOACHIM (DE) 2005-08-25 US disclosed
US-6881742-B1 Benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides BASF AKTIENGESELLSCHAFT (DE) 2005-04-19 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-20050187265-A1 Novel benzyl amidoxime derivatives, intermediate products and method for their production and use as fungicides CBR3, CBR1, CYP1B1 SMN1; SMN2 2874/4885POLB 3884/4885ALDH1A1 1086/4885

“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.