SCHEMBL6466314

SCHEMBL6466314

COCCOCCOCc1nc(C(F)(F)F)ccc1C(=O)C1=C(O)C2CCC(C2)C1=O

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPC P11150 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
DRD2 P14416 2/20 0.31
DRD4 P21917 2/20 0.31
HTR1A P08908 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
DRD3 P35462 1/20 0.31
HTR2B P41595 1/20 0.31
IDH1 O75874 1/20 0.30
RORC P51449 1/20 0.30
TUBB4A P04350 1/20 0.30
TUBB P07437 1/20 0.30
TUBA3C P0DPH7 1/20 0.30
TUBA1B P68363 1/20 0.30
TUBA4A P68366 1/20 0.30
TUBB4B P68371 1/20 0.30
TUBB3 Q13509 1/20 0.30
TUBB2A Q13885 1/20 0.30
TUBB8 Q3ZCM7 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
SCHEMBL14180527 1.00 LIPC (0.31) LIPCLIPGDRD2DRD4HTR1A
SCHEMBL14242410 0.99 DRD2 (0.31) LIPCLIPGDRD2DRD4HTR1A
SCHEMBL14654290 0.99 DRD2 (0.31) LIPCLIPGDRD2DRD4HTR1A
SCHEMBL124732 0.99 DRD2 (0.31) LIPCLIPGDRD2DRD4HTR1A
SCHEMBL31482986 0.99 DRD2 (0.31) LIPCLIPGDRD2DRD4HTR1A
SCHEMBL124733 0.99 DRD2 (0.31) LIPCLIPGDRD2DRD4HTR1A
Acetamide SCHEMBL337717 0.95 LIPC (0.30) LIPCLIPG
SCHEMBL12362081 0.93 TUBB4A (0.31) DRD2DRD4HTR1AHTR2AHTR2C
SCHEMBL13383736 0.93
SCHEMBL13383645 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050054533-A1 Herbicidal conposition SYNGENTA CROP PROTECTION, INC. 2005-03-10 US claimed
EP-1450607-A1 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2004-09-01 EP claimed
WO-2003047342-A1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2003-06-12 WO claimed
US-7691785-B2 Pyridine-3-ketone compound; plant growth controllers SYNGENTA CROP PROTECTION, INC. (US) 2010-04-06 US disclosed
US-7691785-B2 Pyridine-3-ketone compound; plant growth controllers SYNGENTA CROP PROTECTION, INC. (US) 2010-04-06 US disclosed
US-20080274891-A1 SUBSTITUTED PYRIDINE HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
US-20080274891-A1 SUBSTITUTED PYRIDINE HERBICIDES SYNGENTA CROP PROTECTION, INC. (US) 2008-11-06 US disclosed
US-7378375-B1 Substituted pyridine herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-05-27 US disclosed
US-7378375-B1 Substituted pyridine herbicides SYNGENTA CROP PROTECTION, INC. (US) 2008-05-27 US disclosed
US-20050054533-A1 Herbicidal conposition SYNGENTA CROP PROTECTION, INC. 2005-03-10 US disclosed
EP-1450607-A1 HERBICIDAL COMPOSITION Syngenta Participations AG (CH) 2004-09-01 EP disclosed
WO-2003047342-A1 HERBICIDAL COMPOSITION SYNGENTA PARTICIPATIONS AG (CH) 2003-06-12 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 (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-20080274891-A1 SUBSTITUTED PYRIDINE HERBICIDES DDT, CYP1A1, CYP1B1 LIPC 2561/4885LIPG 4623/4885DRD2 1725/4885
US-20050054533-A1 Herbicidal conposition DDT, DCPS, DPP7 LIPC 682/4885LIPG 3332/4885DRD2 343/4885

“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.