SCHEMBL3565827

SCHEMBL3565827

COc1ccc(C(C)O)cc1OCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
BCHE P06276 1/20 0.50
F2 P00734 1/20 0.49
F10 P00742 1/20 0.49
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
PRSS3 P35030 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48

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
SCHEMBL8886562 0.92 HPGD (0.49) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL30280437 0.92 HPGD (0.49) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL2060104 0.90 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL9586284 0.90 SMPD1 (0.56) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL17833745 0.88 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL8843624 0.87 SMPD1 (0.53) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL6376690 0.85 SMPD1 (0.51) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL7916416 0.85 NFKB1 (0.57) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL30352666 0.85 NFKB1 (0.57) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2
SCHEMBL4819752 0.85 SMPD1 (0.51) SMPD1HDAC1HDAC8HDAC6SMN1; SMN2

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-7713994-B2 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo,1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihyro-3 (2H)-isoquinolones and methods of use thereof WYETH LLC (US) 2010-05-11 US disclosed
EP-1963273-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITORS Wyeth a Corporation of the State of Delaware (US) 2008-09-03 EP disclosed
US-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof WYETH (US) 2008-04-10 US disclosed
WO-2007075783-A2 SUBSTITUTED ISOQUINOLINE-1,3(2H,4H)-DIONES, 1-THIOXO-1,4-DIHYDRO-2H-ISOQUINOLINE-3-ONES AND 1,4-DIHYDRO-3(2H)-ISOQUINOLONES AND USE THEREOF AS KINASE INHIBITOR WYETH (US) 2007-07-05 WO 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-20080085890-A1 Substituted isoquinoline-1,3(2H,4H)-diones, 1-thioxo-1,4-dihydro-2H-isoquinoline-3-ones and 1,4-dihydro-3 (2H)-isoquinolones and methods of use thereof SULT1E1, RECQL, HAX1 SMPD1 2669/4885HDAC1 281/4885HDAC8 2112/4885

“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.