SCHEMBL5485183

SCHEMBL5485183

CCOC(=O)Cc1cc(OCC)c(OCC)cc1C(=O)c1cc2ccccc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
CLK1 P49759 1/20 0.41
RAB9A P51151 2/20 0.40
NPC1 O15118 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
PKM P14618 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
DYRK1A Q13627 1/20 0.40
BCL2L1 Q07817 1/20 0.40
TSHR P16473 1/20 0.40
F9 P00740 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC4 P56524 1/20 0.39
HDAC1 Q13547 1/20 0.39

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
SCHEMBL5492960 0.81 RAB9A (0.42) CNR1CNR2CLK1RAB9AL3MBTL1
SCHEMBL5492931 0.81 NAMPT (0.50) CNR1CNR2CLK1RAB9AKMT2A
SCHEMBL6614544 0.79 CNR1 (0.48) CNR1CNR2CLK1RAB9ADYRK1A
SCHEMBL7407952 0.76 CNR1 (0.45) CNR1CNR2CLK1RAB9ADYRK1A
SCHEMBL6613994 0.74 CNR1 (0.44) CNR1CNR2CLK1RAB9ADYRK1A
SCHEMBL5160945 0.72 HDAC3 (0.53) CNR1CNR2RAB9AL3MBTL1DYRK1A
SCHEMBL4231274 0.72 CYP2A6 (0.51) RAB9ANPC1L3MBTL1PKMNFKB1
SCHEMBL4405770 0.71 BCL2L1 (0.57) CNR1CNR2RAB9ANPC1L3MBTL1
SCHEMBL29913871 0.71 BCL2L1 (0.57) CNR1CNR2RAB9ANPC1L3MBTL1
SCHEMBL7636919 0.69 BCL2L1 (0.54) CNR1CNR2RAB9AL3MBTL1KMT2A

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-7250410-B2 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof VIA PHARMACEUTICALS, INC. (US) 2007-07-31 US disclosed
US-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof BAY CITY CAPITAL LLC 2004-08-05 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-20040152888-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses thereof PDE7A, PDE3B, PDE3A CNR1 101/4885CNR2 139/4885CLK1 2707/4885

“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.