SCHEMBL14750017

SCHEMBL14750017

COc1ccc(C)c(OCC2(C(=O)O)CCC2)c1O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.39
▸ MGLL Q99685 5/20 0.39
▸ MAPT P10636 2/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 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
SCHEMBL14749775 0.88 DGAT1 (0.40) DGAT1MGLLMAPTTDP1KDM4E
SCHEMBL14750025 0.85 MGLL (0.41) DGAT1MGLL
SCHEMBL14750014 0.75 CYP4F2 (0.35) MGLLMAPTMAPK1MEN1KMT2A
SCHEMBL14749776 0.75 L3MBTL1 (0.42) MAPTMEN1KMT2A
SCHEMBL14750029 0.71 CYP2C9 (0.55) DGAT1MAPTTDP1KDM4EALOX15
SCHEMBL30364533 0.68 MAPT (0.46) MAPTTDP1KDM4EALOX15MAPK1
SCHEMBL12584714 0.68 MAPT (0.46) MAPTTDP1KDM4EALOX15MAPK1
SCHEMBL14749736 0.68 ALDH1A1 (0.48) KDM4EMEN1KMT2A
SCHEMBL4464655 0.68 BRD4 (0.37) MAPTMEN1KMT2A
SCHEMBL20482392 0.66 ALDH1A1 (0.51) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 — — US 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-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE4A DGAT1 942/4885MGLL 254/4885MAPT 4737/4885

“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.

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