SCHEMBL7797947

SCHEMBL7797947

CCOc1cc(OCC)c(C=O)cc1Br

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.66
POLB P06746 1/20 0.49
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 3/20 0.47
PRKDC P78527 1/20 0.43
TSHR P16473 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
CYP3A4 P08684 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
GAA P10253 2/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL29771752 1.00 LMNA (0.66) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL29246738 0.86 LMNA (0.49) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL29771743 0.86 LMNA (0.49) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL14048033 0.84 PTPN1 (0.51) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL29771722 0.84 PTPN1 (0.51) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL23783245 0.84 LMNA (0.70) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL30427017 0.84 LMNA (0.60) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL22836575 0.84 LMNA (0.60) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL3431542 0.84 LMNA (0.69) LMNAPOLBALDH1A1KDM4EPRKDC
SCHEMBL10969853 0.84 LMNA (0.68) LMNAPOLBALDH1A1KDM4EPRKDC

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114853652-B Sulfonium salt compound, preparation method and application thereof, and cationic UV (ultraviolet) curing adhesive 韦尔通科技股份有限公司 2023-08-29 CN disclosed
CN-114853652-A Sulfonium salt compound, preparation method and application thereof, and cationic UV (ultraviolet) curing adhesive 韦尔通(厦门)科技股份有限公司 2022-08-05 CN disclosed
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 3590/4885POLB 3366/4885ALDH1A1 494/4885

“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.