SCHEMBL18355487

SCHEMBL18355487

Cc1cc(C(F)(C(C)(F)F)C(F)(F)F)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 7/20 0.43
TDP1 Q9NUW8 6/20 0.43
ALDH1A1 P00352 5/20 0.43
TSHR P16473 3/20 0.43
ESR1 P03372 3/20 0.42
AR P10275 2/20 0.42
ESR2 Q92731 1/20 0.42
S100B P04271 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.37
SKP2 Q13309 1/20 0.34
RECQL P46063 2/20 0.33
MAPK1 P28482 2/20 0.33
THRB P10828 2/20 0.33
ALOX15 P16050 2/20 0.33
MAPT P10636 2/20 0.33
PKM P14618 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 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
SCHEMBL2718835 0.90 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL29598324 0.90 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL3894118 0.86 CYP3A4 (0.45) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL3908268 0.85 CYP3A4 (0.43) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL3895001 0.83 CYP3A4 (0.42) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL23644120 0.79 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL13905695 0.79 CYP3A4 (0.50) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL1352918 0.78 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL3377615 0.78 CYP3A4 (0.48) CYP3A4TDP1ALDH1A1TSHRESR1
SCHEMBL18355973 0.78 POLB (0.52) CYP3A4TDP1ALDH1A1TSHRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9750246-B2 Insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-09-05 US disclosed
US-20170000121-A1 INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2017-01-05 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-20170000121-A1 INSECTICIDAL COMPOUNDS ACHE, NIT2, CHRM1 CYP3A4 420/4885TDP1 2716/4885ALDH1A1 673/4885

“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.