SCHEMBL16952986

SCHEMBL16952986

CCOc1c[c]cc(OC(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
NQO1 P15559 1/20 0.38
CACNA2D1 P54289 1/20 0.37
MAPK1 P28482 1/20 0.35
CCR6 P51684 1/20 0.34
LMNA P02545 3/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33
S1PR1 P21453 1/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
PDK2 Q15119 2/20 0.33
TSHR P16473 2/20 0.33
PDE2A O00408 1/20 0.33
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ESR1 P03372 2/20 0.32

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
SCHEMBL497707 0.85 GPR3 (0.39) L3MBTL1MAPK1LMNAPOLBMEN1
SCHEMBL17046412 0.85 PDK2 (0.35) L3MBTL1MEN1KMT2APDK2TSHR
SCHEMBL907784 0.83 NQO1 (0.52) NQO1MAPK1MEN1KMT2AMAPT
SCHEMBL16953037 0.82 NQO1 (0.39) NQO1MAPK1MEN1KMT2AMAPT
SCHEMBL16960991 0.81 TSHR (0.39) L3MBTL1LMNATSHR
SCHEMBL21268397 0.81 MAPT (0.50) L3MBTL1LMNAPOLBMEN1KMT2A
SCHEMBL21268348 0.81 MAPT (0.50) L3MBTL1NQO1MAPK1LMNAMEN1
SCHEMBL1067737 0.80 ALDH1A1 (0.40) CCR6
SCHEMBL21268358 0.78 FFAR4 (0.35)
SCHEMBL21432531 0.77 L3MBTL1 (0.44) L3MBTL1NQO1CACNA2D1MAPK1CCR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US claimed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP claimed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
EP-3544962-B1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2021-07-28 EP disclosed
US-20200383329-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2020-12-10 US disclosed
EP-3544962-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2019-10-02 EP disclosed
EP-2900645-B1 HERBICIDAL AND FUNGICIDAL 3-PHENYLISOXAZOLIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2019-08-21 EP disclosed
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 US disclosed
WO-2018095811-A1 DIAMINOTRIAZINE COMPOUNDS BASF SE (DE) 2018-05-31 WO disclosed
US-9585392-B2 3-phenylisoxazolin derivatives with herbicidal action BAYER CROPSCIENCE AG (DE) 2017-03-07 US disclosed
EP-3134391-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2017-03-01 EP disclosed
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2017-02-16 US disclosed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO disclosed
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION BAYER CROPSCIENCE AG (DE) 2015-09-03 US disclosed
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP 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 (4 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-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 L3MBTL1 1572/4885NQO1 549/4885CACNA2D1 2071/4885
US-20200383329-A1 DIAMINOTRIAZINE COMPOUNDS DDT, DPM1, AOC1 L3MBTL1 3707/4885NQO1 65/4885CACNA2D1 3262/4885
US-20150245615-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION CYP4X1, CBR3, PAOX L3MBTL1 1141/4885NQO1 1187/4885CACNA2D1 981/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 L3MBTL1 1572/4885NQO1 569/4885CACNA2D1 2091/4885

“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.