SCHEMBL7798002

SCHEMBL7798002

COc1cc(C(O)c2ccccc2)ccc1C(O[SiH](C)C)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
ACHE P22303 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GFER P55789 1/20 0.34
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
BCHE P06276 2/20 0.33
TYR P14679 2/20 0.33
MAPT P10636 2/20 0.33
MAPK1 P28482 1/20 0.33
BLM P54132 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7792096 0.90 CNR2 (0.40) CNR2SMN1; SMN2LMNAGAAHTT
SCHEMBL7802400 0.74 TSHR (0.35) SMN1; SMN2GAATDP1TSHR
SCHEMBL481054 0.73 ALDH1A1 (0.40) PPARGPPARDPPARA
SCHEMBL477320 0.73 CNR2 (0.58) CNR2SMN1; SMN2LMNAGAAHTT
SCHEMBL480244 0.72 ABCC9 (0.33)
SCHEMBL2782524 0.72 CNR2 (0.54) CNR2SMN1; SMN2LMNAGAAHTT
SCHEMBL7047147 0.70
SCHEMBL10702236 0.69 PDE4A (0.53) CNR2SMN1; SMN2LMNAGAAHTT
SCHEMBL507378 0.68 SMN1; SMN2 (0.54) SMN1; SMN2LMNAGAAL3MBTL1TSHR
SCHEMBL28276198 0.67 CNR2 (0.62) CNR2SMN1; SMN2KMT2AMEN1MAPT

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-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2001-09-27 US disclosed
US-6110934-A Substituted benzamide derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2000-08-29 US disclosed
EP-1025087-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 2000-08-09 EP disclosed
WO-1999021836-A1 SUBSTITUTED ISOQUINOLINE DERIVATIVES AND THEIR USE AS ANTICONVULSANTS SMITHKLINE BEECHAM PLC (GB) 1999-05-06 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-20010025045-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A CNR2 53/4885SMN1; SMN2 1323/4885LMNA 3590/4885

“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.