SCHEMBL3606881

SCHEMBL3606881

Cc1c(C2CC2)nn(C)c1Oc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.39
PTGDR Q13258 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
PPARG P37231 7/20 0.34
GPBAR1 Q8TDU6 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 2/20 0.33
PPOX P50336 1/20 0.33
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
GAA P10253 1/20 0.31

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
SCHEMBL3598852 0.87 PTGDR2 (0.37) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3611068 0.87 ALDH1A1 (0.39) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3601096 0.86 PTGDR2 (0.36) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3613668 0.86 PTGDR2 (0.36) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3604938 0.85 KDM4E (0.42) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3604317 0.85 KDM4E (0.42) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3601479 0.84 PTGDR2 (0.35) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3601471 0.84 PTGDR2 (0.35) PTGDR2PTGDRALDH1A1KDM4EHSD17B10
SCHEMBL3607726 0.84 TSHR (0.36) PTGDR2PTGDRTSHRHTR2AHTR2C
SCHEMBL3598975 0.81 KDM4E (0.42) PTGDR2PTGDRALDH1A1KDM4EHSD17B10

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 PTGDR2 2422/4885PTGDR 1928/4885ALDH1A1 365/4885

“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.