SCHEMBL17164160

SCHEMBL17164160

Fc1[c]c(OC2CCCCC2)cc(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PPOX P50336 1/20 0.32
▸ THRA P10827 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ GRIN2D O15399 1/20 0.32
▸ GRIN3B O60391 1/20 0.32
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2A Q12879 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ GRIN2C Q14957 1/20 0.32
▸ GRIN3A Q8TCU5 1/20 0.32
▸ PDGFRB P09619 1/20 0.31
▸ PDGFRA P16234 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ APP P05067 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
SCHEMBL17164068 0.98 PTGS1 (0.35) PTGS1PTGS2PPOX
SCHEMBL17164175 0.95 PTGS1 (0.33) PTGS1PTGS2PPOX
SCHEMBL17164122 0.91 — —
SCHEMBL17164192 0.77 PTGS1 (0.35) PTGS1PTGS2EPHX2APP
SCHEMBL17164129 0.76 PARP10 (0.44) THRATHRBSCN9A
SCHEMBL17164200 0.75 PTGS1 (0.36) PTGS1PTGS2
SCHEMBL17164202 0.74 THRA (0.33) PTGS1PTGS2THRATHRBPDGFRB
SCHEMBL17164069 0.73 PARP10 (0.42) THRATHRBSCN9A
SCHEMBL17164196 0.72 PTGS1 (0.32) PTGS1PTGS2PDGFRBPDGFRASCN9A
SCHEMBL17164157 0.71 PTGS1 (0.31) PTGS1PTGS2THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10941122-B2 Diaminotriazine derivatives as herbicides BASF SE (DE) 2021-03-09 — — US claimed
EP-3129359-B1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2021-03-03 — — EP claimed
EP-3129359-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 — — EP claimed
WO-2015155272-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 — — WO claimed
US-10941122-B2 Diaminotriazine derivatives as herbicides BASF SE (DE) 2021-03-09 — — US disclosed
EP-3129359-B1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2021-03-03 — — EP disclosed
CN-106458937-A Diaminotriazine derivatives as herbicides 巴斯夫欧洲公司 2017-02-22 — — CN disclosed
EP-3129359-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-02-15 — — EP disclosed
US-20170022170-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2017-01-26 — — US disclosed
WO-2015155272-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES BASF SE (DE) 2015-10-15 — — 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 (2 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-10941122-B2 Diaminotriazine derivatives as herbicides DDT, CBR3, HDHD5 PTGS1 3461/4885PTGS2 2532/4885PPOX 1265/4885
US-20170022170-A1 DIAMINOTRIAZINE DERIVATIVES AS HERBICIDES DDT, CBR3, HDHD5 PTGS1 3461/4885PTGS2 2532/4885PPOX 1265/4885

“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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