SCHEMBL17487268

SCHEMBL17487268

FC(F)(F)c1cc(C(Br)C(F)(F)F)c(Cl)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.41
GPR35 Q9HC97 3/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
HIF1A Q16665 1/20 0.33
TXNRD1 Q16881 1/20 0.33
TXNRD3 Q86VQ6 1/20 0.33
TXNRD2 Q9NNW7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PDE2A O00408 1/20 0.31
CES2 O00748 1/20 0.30

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
SCHEMBL17486317 0.82 RAPGEF4 (0.37) P2RX7GPR35ALDH1A1CYP3A4HPGD
SCHEMBL15934972 0.78 P2RX7 (0.43) P2RX7GPR35ALDH1A1CYP3A4HPGD
SCHEMBL1042850 0.76 ALDH1A1 (0.45) GPR35ALDH1A1CYP3A4HPGDALOX15
SCHEMBL18932351 0.73 PDE2A (0.46) ALDH1A1TSHRPDE2A
SCHEMBL7880515 0.71 ALDH1A1 (0.38) P2RX7GPR35ALDH1A1CYP3A4HPGD
SCHEMBL6222180 0.70 NOTUM (0.43) GPR35ALDH1A1CYP3A4HPGDALOX15
SCHEMBL13550148 0.69 RAPGEF4 (0.43) P2RX7GPR35ALDH1A1CYP3A4HPGD
SCHEMBL14321432 0.68 ALDH1A1 (0.42) P2RX7ALDH1A1CYP3A4HPGDTSHR
SCHEMBL19137334 0.68 P2RX7 (0.34) P2RX7ALDH1A1
SCHEMBL30055354 0.67 ALDH1A1 (0.38) GPR35ALDH1A1CYP3A4HPGDALOX15

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-9622477-B2 Pesticidal compositions and processes related thereto DOW AGROSCIENCES LLC (US) 2017-04-18 US disclosed
US-20160029636-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO DOW AGROSCIENCES LLC (US) 2016-02-04 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-20160029636-A1 PESTICIDAL COMPOSITIONS AND PROCESSES RELATED THERETO ACHE, DDT, PTMS P2RX7 213/4885GPR35 3601/4885ALDH1A1 854/4885

“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.