SCHEMBL1360933

SCHEMBL1360933

O=[N+]([O-])c1ccc(OC(F)(F)C(F)C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.55
ALDH1A1 P00352 2/20 0.55
TSHR P16473 1/20 0.55
HSPB1 P04792 2/20 0.46
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CETP P11597 1/20 0.41
MAPT P10636 5/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MAPK1 P28482 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MYOC Q99972 1/20 0.41
HTT P42858 3/20 0.40
TP53 P04637 2/20 0.40

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
SCHEMBL8611079 0.88 HSPB1 (0.50) HSD17B10ALDH1A1TSHRHSPB1CA1
SCHEMBL10931692 0.83 HSPB1 (0.46) HSD17B10ALDH1A1TSHRHSPB1CA1
SCHEMBL10933272 0.83 HSPB1 (0.46) HSD17B10ALDH1A1TSHRHSPB1CA1
SCHEMBL11679555 0.82 ALDH1A1 (0.69) HSD17B10ALDH1A1TSHRMAPTMEN1
SCHEMBL693976 0.78 HSPB1 (0.55) HSD17B10ALDH1A1HSPB1CA1CA2
SCHEMBL10590859 0.77 TDP1 (0.46) HSD17B10ALDH1A1TSHRHSPB1CETP
SCHEMBL9325813 0.77 HSPB1 (0.53) HSD17B10ALDH1A1HSPB1CA1CA2
SCHEMBL745620 0.76 HSPB1 (0.49) HSD17B10ALDH1A1TSHRHSPB1CA1
SCHEMBL10498244 0.76 HSPB1 (0.49) HSD17B10ALDH1A1HSPB1CA1CA2
SCHEMBL10912860 0.75 HSPB1 (0.52) HSD17B10ALDH1A1HSPB1CA1CA2

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-8067638-B2 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2011-11-29 US disclosed
US-20090233962-A1 Amide derivative and insecticide containing the same MITSUI CHEMICALS, INC. (JP) 2009-09-17 US disclosed
EP-1911751-A1 AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND Mitsui Chemicals, Inc. (JP) 2008-04-16 EP 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-20090233962-A1 Amide derivative and insecticide containing the same CYP1A1, CYP4B1, CYP2E1 HSD17B10 763/4885ALDH1A1 427/4885TSHR 1212/4885

“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.