SCHEMBL16013734

SCHEMBL16013734

Nc1cccc(-c2ccc3c(c2)CC(c2cccc(C(F)(F)F)c2)(C(F)(F)F)O3)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ KDM1A O60341 3/20 0.38
▸ BACE1 P56817 5/20 0.37
▸ ASIC3 Q9UHC3 1/20 0.36
▸ CTSD P07339 1/20 0.36
▸ SLC6A4 P31645 1/20 0.35
▸ CA12 O43570 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ PARP10 Q53GL7 1/20 0.34
▸ PARP11 Q9NR21 1/20 0.34
▸ TDP2 O95551 1/20 0.34
▸ MAOB P27338 1/20 0.33
▸ KCNN4 O15554 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
SCHEMBL16013892 0.90 TSHR (0.43) TSHRMAPK1KDM1ABACE1SLC6A4
SCHEMBL16013962 0.83 TDP2 (0.34) BACE1CTSDSLC6A4TDP2
SCHEMBL16013588 0.80 KDM1A (0.39) TSHRMAPK1KDM1ASLC6A4KCNN4
SCHEMBL16013303 0.78 EGFR (0.46) MAPK1
SCHEMBL16196764 0.77 KDM1A (0.36) KDM1ASLC6A4
SCHEMBL16196765 0.76 HCAR3 (0.40) KDM1AMAOB
SCHEMBL16013855 0.76 BACE1 (0.43) KDM1ABACE1MAOB
SCHEMBL16196766 0.76 MAPT (0.37) KDM1ASLC6A4KCNN4
SCHEMBL16196762 0.74 KDM1A (0.38) KDM1ASLC6A4KCNN4
SCHEMBL16196936 0.71 NR4A1 (0.44) —

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 9 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
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 4658/4885MAPK1 3790/4885KDM1A 1192/4885

“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.

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