SCHEMBL603092

SCHEMBL603092

CC(C)(C)C(=O)OCn1c(-c2cc(C(F)(F)F)nc(C3CC3)n2)noc1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KHK P50053 2/20 0.36
HTR1A P08908 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KCNH2 Q12809 1/20 0.33
DGAT1 O75907 1/20 0.33
CNR2 P34972 7/20 0.33
LCAT P04180 1/20 0.33
NPSR1 Q6W5P4 2/20 0.32
HSD17B10 Q99714 2/20 0.32
MAPT P10636 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 2/20 0.32
GAA P10253 1/20 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
SCHEMBL601603 0.84 ALDH1A1 (0.36) KHKNPSR1HSD17B10MAPTCYP1A2
SCHEMBL601498 0.80 POLB (0.33) NPSR1POLBGAALMNAALDH1A1
SCHEMBL601045 0.80 KHK (0.34) KHKDRD2KCNH2CNR2LCAT
SCHEMBL602276 0.79 KHK (0.36) KHKCNR2LCATHSD17B10ALOX15
SCHEMBL601207 0.78 TLR7 (0.37) KHKCNR2LCATHSD17B10ALOX15
SCHEMBL2338291 0.73 ALDH1A1 (0.39) NPSR1POLBGAALMNAALDH1A1
SCHEMBL601874 0.73 KHK (0.36) KHKCNR2LCATNPSR1MAPT
SCHEMBL603215 0.69 POLB (0.32) NPSR1POLBGAA
SCHEMBL603341 0.65 GAA (0.33) GAAHPGD
SCHEMBL602766 0.64 LCAT (0.35) KHKCNR2LCATHPGDBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2432780-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL Sumitomo Chemical Company, Limited (JP) 2012-03-28 EP disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
US-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-16 US disclosed
WO-2010134478-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-11-25 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 (1 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-20120041009-A1 PYRIMIDINE COMPOUND AND ITS USE IN PEST CONTROL TYMP, DPYD, TYMS KHK 382/4885HTR1A 2711/4885DRD2 2455/4885

“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.