SCHEMBL11047683

SCHEMBL11047683

c1ccc(COc2ccc(C3CCC4(CC3)OCCO4)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.50
GRIN2B Q13224 1/20 0.50
MRGPRX4 Q96LA9 1/20 0.48
CYP1A2 P05177 2/20 0.44
LMNA P02545 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGS2 P35354 1/20 0.44
SLC6A3 Q01959 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
TP53 P04637 1/20 0.43
FDFT1 P37268 1/20 0.43
MAOB P27338 6/20 0.43
MAOA P21397 5/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL24460873 0.86 GRIN1 (0.53) GRIN1GRIN2BMAOBMAOAKCNH2
SCHEMBL10272647 0.82 MRGPRX4 (0.64) MRGPRX4CYP1A2LMNAPTGS1SLC6A2
SCHEMBL21964488 0.82 MRGPRX4 (0.51) MRGPRX4CYP1A2LMNAPTGS1SLC6A2
SCHEMBL17468456 0.82 TP53 (0.52) MRGPRX4CYP1A2LMNAPTGS1SLC6A2
SCHEMBL8990466 0.80 ESR2 (0.39) GRIN1GRIN2BCYP2C19MEN1KMT2A
SCHEMBL14336757 0.79 SLC18A3 (0.45) GRIN2BGAAL3MBTL1
SCHEMBL19339365 0.79 GRIN1 (0.48) GRIN1GRIN2BCYP1A2LMNAPTGS1
SCHEMBL24460870 0.78 HTR1A (0.60) GRIN1GRIN2BCYP1A2LMNASLC6A2
SCHEMBL5249481 0.78 HRH3 (0.60) MRGPRX4CYP1A2LMNAPTGS1SLC6A2
SCHEMBL16969436 0.77 ESR2 (0.57) MRGPRX4CYP1A2LMNAPTGS1SLC6A2

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
US-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease BIOMARIN PHARMACEUTICAL INC. (US) 2022-07-12 US disclosed
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2021-06-10 US disclosed
WO-2020257487-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE BIOMARIN PHARMACEUTICAL INC. (US) 2020-12-24 WO disclosed
EP-0035902-B1 1-(4-ARYL-CYCLOHEXYL)PIPERIDINE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1984-10-31 EP disclosed
US-4329353-A ANTIEMETIC AND NEUROLEPTIC AGENTS JANSSEN PHARMACEUTICA, N.V. (BE) 1982-05-11 US 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 (2 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-11384055-B2 Glycolate oxidase inhibitors for the treatment of disease XDH, PNPO, AGXT GRIN1 1134/4885GRIN2B 1562/4885MRGPRX4 1196/4885
US-20210171474-A1 GLYCOLATE OXIDASE INHIBITORS FOR THE TREATMENT OF DISEASE XDH, PNPO, AGXT GRIN1 1134/4885GRIN2B 1562/4885MRGPRX4 1196/4885

“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.