SCHEMBL3630904

SCHEMBL3630904

C[C@H](Oc1ccc(Oc2nc3ccc(Cl)cc3o2)cc1)C(=O)N(C)c1ccccc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
TP53 P04637 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
GMNN O75496 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
APEX1 P27695 1/20 0.38
PMP22 Q01453 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CTSD P07339 1/20 0.38
P2RX3 P56373 1/20 0.36
FPR2 P25090 2/20 0.35
SCN9A Q15858 2/20 0.35
MEN1 O00255 2/20 0.34

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
SCHEMBL29530747 1.00 MAPT (0.38) MAPTTP53CYP1A2CYP3A4ALOX15
SCHEMBL120855 1.00 MAPT (0.38) MAPTTP53CYP1A2CYP3A4ALOX15
SCHEMBL3217731 1.00 MAPT (0.38) MAPTTP53CYP1A2CYP3A4ALOX15
SCHEMBL29792113 1.00 MAPT (0.38) MAPTTP53CYP1A2CYP3A4ALOX15
Isopropylamine SCHEMBL19641965 0.97 MAPT (0.37) MAPTTP53CYP1A2CYP3A4ALOX15
SCHEMBL7763619 0.97 CTSD (0.38) MAPTTP53CYP1A2CYP3A4ALOX15
Butyric Acid SCHEMBL16671470 0.91 P2RX3 (0.34) MAPTTP53CYP1A2CYP3A4ALOX15
SCHEMBL6403028 0.91 MAPT (0.38) MAPTTP53CYP1A2CYP3A4ALOX15
SCHEMBL7112758 0.91 MAPT (0.38) MAPTTP53CYP1A2CYP3A4ALOX15
SCHEMBL7154225 0.91 MAPT (0.39) MAPTTP53CYP1A2CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100311588-A1 SYNERGISTIC HERBICIDAL COMBINATIONS COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-09 US claimed
WO-2010136146-A2 SYNERGISTIC COMBINATIONS OF HERBICIDES COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-02 WO claimed
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS BAYER CROPSCIENCE AG (DE) 2010-12-02 US claimed
WO-2010136165-A2 HERBICIDE COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CULTURES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO claimed
US-8728977-B2 Herbicidal combinations comprising tefuryltrione for use in rice crops BAYER CROPSCIENCE AG (DE) 2014-05-20 US disclosed
US-8728977-B2 Herbicidal combinations comprising tefuryltrione for use in rice crops BAYER CROPSCIENCE AG (DE) 2014-05-20 US disclosed
US-8728977-B2 Herbicidal combinations comprising tefuryltrione for use in rice crops BAYER CROPSCIENCE AG (DE) 2014-05-20 US disclosed
US-8492313-B2 Synergistic herbicidal combinations comprising tembotrione BAYER CROPSCIENCE AG (DE) 2013-07-23 US disclosed
US-8492313-B2 Synergistic herbicidal combinations comprising tembotrione BAYER CROPSCIENCE AG (DE) 2013-07-23 US disclosed
US-20100311588-A1 SYNERGISTIC HERBICIDAL COMBINATIONS COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
US-20100311588-A1 SYNERGISTIC HERBICIDAL COMBINATIONS COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-09 US disclosed
WO-2010136146-A2 SYNERGISTIC COMBINATIONS OF HERBICIDES COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-02 WO disclosed
WO-2010136146-A2 SYNERGISTIC COMBINATIONS OF HERBICIDES COMPRISING TEMBOTRIONE BAYER CROPSCIENCE AG (DE) 2010-12-02 WO disclosed
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS BAYER CROPSCIENCE AG (DE) 2010-12-02 US disclosed
WO-2010136165-A2 HERBICIDE COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CULTURES BAYER CROPSCIENCE AG (DE) 2010-12-02 WO disclosed
WO-2010136165-A2 HERBICIDE COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CULTURES BAYER CROPSCIENCE AG (DE) 2010-12-02 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-20100311588-A1 SYNERGISTIC HERBICIDAL COMBINATIONS COMPRISING TEMBOTRIONE DDT, TUBB, TUBB3 MAPT 991/4885TP53 2722/4885CYP1A2 152/4885
US-20100304973-A1 HERBICIDAL COMBINATIONS COMPRISING TEFURYLTRIONE FOR USE IN RICE CROPS DDT, DHFR, HACL2 MAPT 1685/4885TP53 3305/4885CYP1A2 340/4885

“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.