SCHEMBL14749777

SCHEMBL14749777

COc1ccc(C)c(OCC(C)(C)C(=O)O)c1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.55
▸ TDP1 Q9NUW8 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ ALDH1A1 P00352 3/20 0.45
▸ GAA P10253 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ PPARA Q07869 2/20 0.42
▸ TTR P02766 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C8 P10632 1/20 0.42
▸ CHRM1 P11229 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ PPARG P37231 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ SLCO1B3 Q9NPD5 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ MAPT P10636 2/20 0.40
▸ DGAT1 O75907 3/20 0.38

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
SCHEMBL14750029 0.88 CYP2C9 (0.55) CYP2C9TDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL14749778 0.87 L3MBTL1 (0.44) CYP2C9TDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL16784835 0.78 SMN1; SMN2 (0.53) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL14750649 0.77 TDP1 (0.42) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL14750037 0.76 CYP2C9 (0.54) CYP2C9TDP1SMN1; SMN2PPARATTR
SCHEMBL17599631 0.74 HDAC4 (0.39) CYP2C9SMN1; SMN2ALDH1A1GAAKDM4E
SCHEMBL16784834 0.72 ALDH1A1 (0.52) ALDH1A1GAAL3MBTL1CYP1A2MAPT
SCHEMBL14754052 0.72 GAA (0.35) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1
SCHEMBL21991307 0.71 CYP2C9 (1.00) CYP2C9TDP1SMN1; SMN2ALDH1A1GAA
SCHEMBL29767819 0.71 ALDH1A1 (0.46) TDP1SMN1; SMN2ALDH1A1GAAL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 — — US disclosed
US-9051290-B2 Biaryl phosphodiesterase inhibitors LEO PHARMA A/S (DK) 2015-06-09 — — US disclosed
US-20130059853-A1 BIARYL PHOSPHODIESTERASE INHIBITORS LEO PHARMA A/S (DK) 2013-03-07 — — US disclosed
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 CYP2C9 889/4885TDP1 49/4885SMN1; SMN2 4003/4885

“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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