SCHEMBL4122038

SCHEMBL4122038

CCOC(=O)c1c(C2OCCO2)nn2c(OC)ccc(COC(C)=O)c12

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 3/20 0.35
DGAT1 O75907 10/20 0.33
SOAT1 P35610 9/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 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
SCHEMBL14684504 0.89 PDE4D (0.36) PDE4DDGAT1SOAT1ALDH1A1MAPT
SCHEMBL3225581 0.79 PDE4D (0.38) PDE4DALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3226056 0.78 PDE4D (0.37) PDE4DDGAT1SOAT1ALDH1A1MAPT
SCHEMBL3216758 0.70 ADORA3 (0.34) PDE4DDGAT1SOAT1ALDH1A1MAPT
SCHEMBL13851037 0.69 ALDH1A1 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL3222801 0.69 PDE4D (0.41) PDE4DDGAT1SOAT1ALDH1A1MAPT
SCHEMBL3219443 0.66 PLAT (0.43) PDE4DDGAT1SOAT1ALDH1A1MAPT
SCHEMBL2967367 0.65 PDE4D (0.38) PDE4DDGAT1SOAT1ALDH1A1MAPT
SCHEMBL2170335 0.63 PDE4D (0.42) PDE4DALDH1A1MAPTHTTMEN1
SCHEMBL21818438 0.61 CA12 (0.43) PDE4DDGAT1SOAT1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
EP-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 EP disclosed
EP-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 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-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient PDE3A, PDE5A, PDE3B PDE4D 16/4885DGAT1 3704/4885SOAT1 3683/4885

“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.