SCHEMBL7791971

SCHEMBL7791971

CCOc1cc(OCC)c(CO[Si](C)(C)C(C)(C)C)cc1Br

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.33
HSD17B10 Q99714 2/20 0.33
TSHR P16473 2/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
HPGD P15428 4/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
MAPK1 P28482 2/20 0.31
NPC1 O15118 1/20 0.30
MEN1 O00255 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
ALPG P10696 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7791974 0.80 HSD17B10 (0.34) LMNAHSD17B10TSHRHTR2AHTR2C
SCHEMBL5773325 0.75 HTR2A (0.39) HTR2AHTR2C
SCHEMBL7797940 0.75 HTR2A (0.38) HTR2AHTR2CALDH1A1
SCHEMBL7802369 0.75 TSHR (0.38) HSD17B10TSHRMAPTALDH1A1HTT
SCHEMBL8256403 0.72 HTR2A (0.36) HTR2AHTR2CHTR2BHPGDALDH1A1
SCHEMBL4334909 0.72 ALDH1A1 (0.47) LMNAHPGDMAPTALDH1A1TDP1
SCHEMBL7797903 0.71 TSHR (0.43) LMNAHSD17B10TSHRHTR2AHTR2C
SCHEMBL9585824 0.70 GAA (0.40) LMNAHSD17B10HPGDMAPTALDH1A1
SCHEMBL1121392 0.70 SSTR5 (0.33) LMNAHSD17B10HPGDMAPTALDH1A1
SCHEMBL17535699 0.70 ALDH1A1 (0.31) LMNAALDH1A1MAPK1

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 3 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
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 LMNA 3590/4885HSD17B10 1492/4885TSHR 4289/4885

“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.