SCHEMBL3608872

SCHEMBL3608872

CCCc1c(C)nn(C)c1Oc1cc(OC(C)C(=O)OCC)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.40
L3MBTL1 Q9Y468 3/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
SHMT2 P34897 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
GAA P10253 2/20 0.35
GPBAR1 Q8TDU6 5/20 0.34
MAPT P10636 3/20 0.33
TSHR P16473 3/20 0.33
HTT P42858 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL3616142 0.92 PPOX (0.41) PPOXL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL3596021 0.91 KDM4E (0.40) L3MBTL1KDM4EALDH1A1KMT2ASHMT2
SCHEMBL3614563 0.91 PPOX (0.41) PPOXL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL3609797 0.85 KDM4E (0.39) L3MBTL1KDM4EALDH1A1KMT2ASHMT2
SCHEMBL3606304 0.84 PPOX (0.40) PPOXL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL3602185 0.84 SMN1; SMN2 (0.46) PPOXL3MBTL1KDM4EALDH1A1KMT2A
SCHEMBL3606155 0.82 KDM4E (0.40) L3MBTL1KDM4EALDH1A1KMT2ASHMT2
SCHEMBL3610789 0.82 KDM4E (0.43) L3MBTL1KDM4EALDH1A1KMT2ASHMT2
SCHEMBL3605184 0.82 KDM4E (0.43) L3MBTL1KDM4EALDH1A1KMT2ASHMT2
SCHEMBL3604699 0.82 PPOX (0.39) PPOXL3MBTL1KDM4EALDH1A1KMT2A

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 331/4885L3MBTL1 3563/4885KDM4E 2049/4885

“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.