SCHEMBL16013293

SCHEMBL16013293

O=[N+]([O-])c1cc2c(cc1Cl)OC(c1cc(Cl)cc(Cl)c1)(C(F)(F)F)C2

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ TXNRD1 Q16881 1/20 0.32
▸ TXNRD3 Q86VQ6 1/20 0.32
▸ TXNRD2 Q9NNW7 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ VCAM1 P19320 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
SCHEMBL16013937 0.81 PNMT (0.35) ALDH1A1MAPK1LMNAHIF1ATDP1
SCHEMBL16013773 0.80 — —
SCHEMBL16014040 0.79 AHR (0.34) —
SCHEMBL19030794 0.78 CYP1A2 (0.38) TSHRALDH1A1CYP3A4MAPK1LMNA
SCHEMBL16013893 0.76 FABP4 (0.36) —
SCHEMBL16013932 0.76 — —
SCHEMBL19030214 0.72 CYP1A2 (0.42) TSHRALDH1A1CYP3A4MAPK1LMNA
SCHEMBL16013858 0.71 MAPT (0.31) ALDH1A1MAPK1LMNATDP1
SCHEMBL16013778 0.71 — —
SCHEMBL16013802 0.71 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9598389-B2 Dihydrobenzofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 — — US disclosed
US-9598389-B2 Dihydrobenzofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 — — US disclosed
US-9598389-B2 Dihydrobenzofuran derivatives as insecticidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2017-03-21 — — US disclosed
US-20160016927-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-21 — — US disclosed
US-20160016927-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-21 — — US disclosed
US-20160016927-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2016-01-21 — — US disclosed
EP-2964025-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS Syngenta Participations AG (CH) 2016-01-13 — — EP disclosed
WO-2014135095-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2014-09-12 — — WO 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-20160016927-A1 DIHYDROBENZOFURAN DERIVATIVES AS INSECTICIDAL COMPOUNDS DDT, DHODH, ACHE TSHR 4658/4885ALDH1A1 36/4885CYP3A4 1722/4885

“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.

Send feedback