SCHEMBL16014723

SCHEMBL16014723

CC1(C)OB(c2ccc(C#N)c(N)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.41
LPL P06858 13/20 0.41
LIPG Q9Y5X9 13/20 0.41
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA3 P07451 1/20 0.39
CA4 P22748 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
F11 P03951 2/20 0.38
F2 P00734 1/20 0.33
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL1668230 0.89 ESR2 (0.42) ESR2LPLLIPGCA1CA2
SCHEMBL12327209 0.85 LIPG (0.44) ESR2LPLLIPGCA1CA2
SCHEMBL422959 0.82 ESR2 (0.42) ESR2LPLLIPGCA1CA2
SCHEMBL189992 0.81 LPL (0.50) ESR2LPLLIPGCA1CA2
SCHEMBL30993446 0.81 LPL (0.50) ESR2LPLLIPGCA1CA2
SCHEMBL751210 0.81 LPL (0.47) ESR2LPLLIPGCA1CA2
SCHEMBL30015551 0.81 TRPV4 (0.43) ESR2LPLLIPG
SCHEMBL14830981 0.81 ESR2 (0.41) ESR2LPLLIPGCA1CA2
SCHEMBL748654 0.81 TRPV4 (0.43) ESR2LPLLIPG
SCHEMBL30376230 0.81 LPL (0.47) ESR2LPLLIPGCA1CA2

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 5 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
CN-103313970-B Novel bicyclic compound or salt thereof 大鹏药品工业株式会社 2016-09-07 CN 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 ESR2 4613/4885LPL 4261/4885LIPG 4170/4885

“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.