SCHEMBL17204239

SCHEMBL17204239

Cc1cc([O])cc(OCC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.36
TSHR P16473 2/20 0.35
PLA2G7 Q13093 1/20 0.35
XDH P47989 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
MAOA P21397 1/20 0.33
TRIM24 O15164 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TARBP2 Q15633 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
SCHEMBL14465626 0.86 KMT2A (0.40) KMT2ATSHRPLA2G7ALDH1A1GAA
SCHEMBL17204117 0.83 HPGD (0.35) KMT2ATSHRALDH1A1MAOAMAPT
SCHEMBL17204333 0.78 NQO1 (0.42) KMT2ATSHRALDH1A1TP53MAPT
SCHEMBL17662615 0.77 FFAR4 (0.40) KMT2ATSHRALDH1A1GAAADRB2
SCHEMBL17204240 0.77 ALDH1A1 (0.44) KMT2ATSHRALDH1A1ADRB2ADRB1
SCHEMBL16952680 0.77 KMT2A (0.36) KMT2ATSHRPLA2G7XDHALDH1A1
SCHEMBL13678471 0.77 RARA (0.44) KMT2ATSHRALDH1A1GAAADRB2
SCHEMBL27584673 0.75 TPMT (0.52) KMT2AXDHNPC1RAB9ASMN1; SMN2
SCHEMBL13678481 0.75 MAPT (0.44) TSHRALDH1A1MAPTHTTNPSR1
SCHEMBL17204426 0.74 ELANE (0.46) KMT2AALDH1A1TP53MAPT

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-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
CN-106232586-A Diaminotriazine compounds and their use as herbicides 巴斯夫欧洲公司 2016-12-14 CN claimed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 WO claimed
US-10029992-B2 Diaminotriazine compounds and their use as herbicides BASF SE (DE) 2018-07-24 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
CN-106232586-A Diaminotriazine compounds and their use as herbicides 巴斯夫欧洲公司 2016-12-14 CN disclosed
WO-2015162166-A1 DIAMINOTRIAZINE COMPOUNDS AND THEIR USE AS HERBICIDES BASF SE (DE) 2015-10-29 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-10029992-B2 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 KMT2A 102/4885TSHR 750/4885PLA2G7 4711/4885
US-20170044114-A1 Diaminotriazine compounds and their use as herbicides NR4A3, CBR3, RCOR3 KMT2A 103/4885TSHR 748/4885PLA2G7 4716/4885

“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.