SCHEMBL3571979

SCHEMBL3571979

CC1(C)Oc2cc(CO)cc(OCc3ccccc3)c2O1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KCNE1 P15382 3/20 0.38
KCNQ1 P51787 3/20 0.38
MAOB P27338 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.36
RHEB Q15382 1/20 0.36
PRKCA P17252 1/20 0.35
BRD4 O60885 2/20 0.35
HIF1A Q16665 1/20 0.35
STAT3 P40763 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
Hydrochloric Acid SCHEMBL3576201 0.86 MAOB (0.42) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL25294017 0.83 SMPD1 (0.40) ALDH1A1BRD4SMN1; SMN2
SCHEMBL24140770 0.82 TSHR (0.34) MAPTMAPK1L3MBTL1ALDH1A1HTT
SCHEMBL3569510 0.79 HPGD (0.53) MAPTL3MBTL1BRD4HIF1ASMN1; SMN2
SCHEMBL6044447 0.76 MAOB (0.50) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL24622192 0.72 MAPT (0.37) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL4420078 0.72 LIPE (0.47) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL28108814 0.71 ABCB1 (0.50) LIPEMAPTMAPK1TDP1L3MBTL1
SCHEMBL9052689 0.71 BRD4 (0.39) MAPTTDP1L3MBTL1MAOBPRKCA
SCHEMBL31528156 0.70 RAB9A (0.50) LIPEMAPTMAPK1TDP1L3MBTL1

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 LIPE 4384/4885MAPT 4095/4885MAPK1 2206/4885

“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.