SCHEMBL3908320

SCHEMBL3908320

OCc1ccc(C2CC2)c(OC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
MRGPRX4 Q96LA9 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
FAAH O00519 1/20 0.35
EPHX2 P34913 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35
CCNA1 P78396 1/20 0.35
SCN9A Q15858 1/20 0.34
NOTUM Q6P988 1/20 0.34
KCNH2 Q12809 2/20 0.34
TMEM97 Q5BJF2 2/20 0.34
SIGMAR1 Q99720 2/20 0.34
P2RX7 Q99572 1/20 0.34
HCRTR2 O43614 3/20 0.33
HCRTR1 O43613 2/20 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
SCHEMBL16959404 0.89 EPHX1 (0.39) EPHX1CYP4F2CYP4A11MRGPRX4FAAH
SCHEMBL3898804 0.84 EPHX1 (0.37) EPHX1MRGPRX4CCNA2CDK2CCNA1
SCHEMBL16961827 0.79 CYP4F2 (0.42) CYP4F2CYP4A11EPHX2NOTUMKCNH2
SCHEMBL16959963 0.78 ALDH1A1 (0.48) CYP4F2CYP4A11ALDH1A1MAPTMAPK1
SCHEMBL671184 0.78 FFAR4 (0.34) MRGPRX4FAAHEPHX2CCNA2CDK2
SCHEMBL16957882 0.77 SLC6A2 (0.47) SCN9ANOTUMSLC6A2SLC6A4SLC6A3
SCHEMBL16957880 0.77 NOTUM (0.33) NOTUMSLC6A2SLC6A4SLC6A3
SCHEMBL31481068 0.77 CHRNB2 (0.35) EPHX1MAPK1HCRTR2HCRTR1SLC6A2
SCHEMBL3910037 0.77 NOTUM (0.44) NOTUMHTR2CSLC6A3
SCHEMBL16953958 0.76 APP (0.38) MRGPRX4SCN9AHCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
US-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY LIMITED (JP) 2009-12-31 US disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 EP disclosed
EP-2017263-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-01-21 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 (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-20090324581-A1 HETEROARYLAMIDE LOWER CARBOXYLIC ACID DERIVATIVE S1PR3, S1PR2, S1PR1 EPHX1 1539/4885CYP4F2 976/4885CYP4A11 762/4885

“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.