SCHEMBL3607959

SCHEMBL3607959

COc1ccc(COc2cc(Oc3c(CCC4(O)CC4)c(C)nn3C)c(Cl)cc2Cl)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
ALDH1A1 P00352 5/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
SHMT2 P34897 1/20 0.35
KMT2A Q03164 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
FPR2 P25090 3/20 0.34
PROKR1 Q8TCW9 3/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
TP53 P04637 1/20 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
SCHEMBL3597738 0.85 ALDH1A1 (0.40) GAAALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL3612786 0.84 ALDH1A1 (0.39) GAAALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL3610486 0.82 PTGDR2 (0.49) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL3615067 0.82 ALDH1A1 (0.38) GAAALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL3611526 0.81 ALDH1A1 (0.39) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL3613905 0.80 SHMT2 (0.35) GAAALDH1A1LMNASMN1; SMN2L3MBTL1
SCHEMBL3603282 0.80 GAA (0.38) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3603279 0.80 GAA (0.38) GAAALDH1A1LMNASMN1; SMN2KDM4E
SCHEMBL3610821 0.78 ALDH1A1 (0.37) ALDH1A1LMNASMN1; SMN2L3MBTL1KDM4E
SCHEMBL3613236 0.78 KDM4E (0.54) ALDH1A1LMNASMN1; SMN2KDM4ECYP1A2

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 GAA 405/4885ALDH1A1 365/4885LMNA 4306/4885

“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.