SCHEMBL14749778

SCHEMBL14749778

COC(=O)C(C)(C)COc1c(C)ccc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ GAA P10253 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ CYP2C9 P11712 1/20 0.43
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ DGAT1 O75907 1/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ NFE2L2 Q16236 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ SSTR1 P30872 1/20 0.34

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
SCHEMBL14749777 0.87 CYP2C9 (0.55) L3MBTL1ALDH1A1GAATDP1SMN1; SMN2
SCHEMBL14750031 0.78 CYP2C9 (0.41) CYP2C9DGAT1CNR2SSTR1SSTR4
SCHEMBL14750650 0.78 ALDH1A1 (0.41) L3MBTL1ALDH1A1GAATDP1SMN1; SMN2
SCHEMBL14750029 0.75 CYP2C9 (0.55) L3MBTL1ALDH1A1GAATDP1SMN1; SMN2
SCHEMBL2583928 0.75 HDAC4 (0.38) KMT2AMEN1LMNAKDM4EABCG2
SCHEMBL21991921 0.75 CYP2C9 (0.75) ALDH1A1GAATDP1SMN1; SMN2CYP2C9
SCHEMBL16784835 0.74 SMN1; SMN2 (0.53) L3MBTL1ALDH1A1GAATDP1SMN1; SMN2
SCHEMBL2588129 0.73 ALDH1A1 (0.50) ALDH1A1GAASMN1; SMN2KMT2AMEN1
SCHEMBL14754052 0.73 GAA (0.35) L3MBTL1ALDH1A1GAATDP1SMN1; SMN2
SCHEMBL2593092 0.72 HSD17B1 (0.43) ALDH1A1KDM4E

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 L3MBTL1 1456/4885ALDH1A1 824/4885GAA 202/4885

“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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