SCHEMBL4167044

SCHEMBL4167044

O=C(c1cc[c]cc1)C(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.40
CA2 P00918 1/20 0.38
MLYCD O95822 8/20 0.32
CES2 O00748 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
SCHEMBL608510 0.82 CES1 (0.60) CES1MLYCD
SCHEMBL28130460 0.80 CES1 (0.58) CES1MLYCD
SCHEMBL10528373 0.77 CES1 (0.67) CES1CA2MLYCDCES2
SCHEMBL27390852 0.77 CES1 (0.36) CES1CA2
Zinc Chloride SCHEMBL28130545 0.75 CES1 (0.52) CES1MLYCD
SCHEMBL27729592 0.74 CES1 (0.35) CES1CA2MLYCD
SCHEMBL10665081 0.73 ALDH1A1 (0.33) CES1
SCHEMBL7189485 0.73 PGR (0.41) CES1CA2MLYCD
SCHEMBL16554098 0.71 CA2 (0.35) CES1CA2MLYCD
SCHEMBL6609486 0.71 CES1 (0.52) CES1MLYCD

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-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 CES1 169/4885CA2 924/4885MLYCD 2205/4885

“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.