SCHEMBL3910037

SCHEMBL3910037

OCc1ccc(C2CC2)c(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.44
KIF11 P52732 1/20 0.42
HTR2C P28335 2/20 0.40
S1PR1 P21453 4/20 0.40
SSTR5 P35346 1/20 0.40
OPRL1 P41146 3/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
S1PR3 Q99500 2/20 0.38
SLC9A1 P19634 3/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
RBP4 P02753 2/20 0.38
CYP3A4 P08684 1/20 0.38
ADRA1D P25100 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SLC9A2 Q9UBY0 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR5 Q9H228 1/20 0.37

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
SCHEMBL3901604 0.93 S1PR1 (0.41) NOTUMKIF11HTR2CS1PR1OPRL1
SCHEMBL1920012 0.93 S1PR1 (0.43) NOTUMKIF11S1PR1S1PR3S1PR4
SCHEMBL31195718 0.93 S1PR1 (0.43) NOTUMKIF11S1PR1S1PR3S1PR4
SCHEMBL3846473 0.92 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5
SCHEMBL30418848 0.92 S1PR1 (0.44) S1PR1S1PR3S1PR4S1PR5
SCHEMBL22074501 0.89 OPRL1 (0.43) NOTUMKIF11HTR2CS1PR1SSTR5
SCHEMBL3904760 0.86 KIF11 (0.46) NOTUMKIF11HTR2CSSTR5RBP4
SCHEMBL22074041 0.84 PDE3B (0.42) NOTUMKIF11S1PR1SSTR5OPRL1
SCHEMBL8990295 0.83 OPRL1 (0.39) NOTUMKIF11S1PR1SSTR5OPRL1
SCHEMBL3901815 0.83 NOTUM (0.44) NOTUMHTR2CS1PR1SSTR5OPRL1

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 NOTUM 2224/4885KIF11 3302/4885HTR2C 423/4885

“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.