SCHEMBL3604696

SCHEMBL3604696

C/C=C\c1c(C)nn(C)c1Oc1cc(OC(C)C(=O)OCC)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.39
GPBAR1 Q8TDU6 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 3/20 0.34
TSHR P16473 3/20 0.34
GAA P10253 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HTT P42858 2/20 0.34
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 3/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NR2F2 P24468 1/20 0.32
KDM4E B2RXH2 2/20 0.32
HPGD P15428 2/20 0.32
ALOX15 P16050 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
SCHEMBL3604699 1.00 PPOX (0.39) PPOXGPBAR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL3602185 0.90 SMN1; SMN2 (0.46) PPOXGPBAR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL3606304 0.90 PPOX (0.40) PPOXGPBAR1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL3616142 0.84 PPOX (0.41) PPOXGPBAR1SMN1; SMN2MAPTTSHR
SCHEMBL3614563 0.83 PPOX (0.41) PPOXGPBAR1SMN1; SMN2MAPTTSHR
SCHEMBL3599331 0.82 L3MBTL1 (0.46) GPBAR1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3599339 0.82 L3MBTL1 (0.46) GPBAR1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3608872 0.82 PPOX (0.40) PPOXGPBAR1SMN1; SMN2MAPTTSHR
SCHEMBL3607755 0.81 L3MBTL1 (0.37) GPBAR1SMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL3607759 0.81 L3MBTL1 (0.37) GPBAR1SMN1; SMN2CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100016396-A1 PYRAZOLE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-01-21 US disclosed
EP-2128138-A1 PYRAZOLE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2009-12-02 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-20100016396-A1 PYRAZOLE COMPOUND SLC5A1, SLC5A2, GLP1R PPOX 331/4885GPBAR1 730/4885SMN1; SMN2 4515/4885

“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.