SCHEMBL1361753

SCHEMBL1361753

Nc1ccc(OC(F)(F)C(F)C(F)(F)F)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.59
TSHR P16473 3/20 0.59
HSD17B10 Q99714 1/20 0.59
TDP1 Q9NUW8 6/20 0.39
CYP3A4 P08684 2/20 0.39
MAOB P27338 4/20 0.38
MAOA P21397 2/20 0.38
MAPK1 P28482 2/20 0.37
CETP P11597 1/20 0.36
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
RECQL P46063 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TEAD4 Q15561 1/20 0.33
KIF11 P52732 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL11679555 0.89 ALDH1A1 (0.69) ALDH1A1TSHRHSD17B10MAPTHPGD
SCHEMBL2029020 0.85 ALDH1A1 (0.44) ALDH1A1TSHRHSD17B10TDP1CYP3A4
Hydrochloric Acid SCHEMBL9586350 0.83 ALDH1A1 (0.43) ALDH1A1TSHRHSD17B10TDP1CYP3A4
SCHEMBL10875333 0.80 TDP1 (0.39) ALDH1A1TSHRHSD17B10TDP1CYP3A4
SCHEMBL6601005 0.80 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10MAOBMAOA
SCHEMBL9860526 0.80 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10TDP1CYP3A4
SCHEMBL706601 0.79 TSHR (0.62) ALDH1A1TSHRHSD17B10CETPMAPT
Hydrochloric Acid SCHEMBL9588507 0.78 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10TDP1CYP3A4
SCHEMBL10949460 0.78 TDP1 (0.41) ALDH1A1TSHRHSD17B10TDP1CYP3A4
SCHEMBL9587435 0.78 TDP1 (0.41) ALDH1A1TSHRHSD17B10TDP1CYP3A4

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-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
CN-101203484-A Amide derivative and pesticide containing such compound MITSUI CHEMICALS INC (JP) 2008-06-18 CN 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 ALDH1A1 427/4885TSHR 1212/4885HSD17B10 763/4885

“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.