SCHEMBL13258018

SCHEMBL13258018

BrCc1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 2/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ PTGS1 P23219 1/20 0.58
▸ SLC6A2 P23975 1/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ PTGS2 P35354 1/20 0.58
▸ SLC6A3 Q01959 1/20 0.58
▸ HIF1A Q16665 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ MAOB P27338 3/20 0.58
▸ BCHE P06276 1/20 0.58
▸ GAA P10253 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAOA P21397 1/20 0.56
▸ RAB9A P51151 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ FFAR1 O14842 2/20 0.55
▸ LTA4H P09960 1/20 0.53

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
SCHEMBL282581 0.94 LMNA (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1437775 0.88 APP (0.64) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL197017 0.88 LMNA (0.72) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL23483029 0.86 LMNA (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL1096817 0.86 LMNA (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL3687040 0.85 MRGPRX4 (0.57) GSTP1MAOBBCHEMAOANR4A2
SCHEMBL9617467 0.85 LMNA (0.62) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL12585463 0.84 GSTP1 (0.54) GSTP1LMNACYP1A2PTGS1SLC6A2
SCHEMBL7715856 0.84 LMNA (0.53) LMNACYP1A2PTGS1SLC6A2CYP2C19
SCHEMBL1703352 0.84 APP (0.69) GSTP1LMNACYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114929839-B Liquid crystal composition, liquid crystal display element and compound 石家庄诚志永华显示材料有限公司 2024-08-09 — — CN disclosed
US-11999892-B2 Liquid crystal composition, liquid crystal display element and compound DIC CORPORATION (JP) 2024-06-04 — — US disclosed
US-20230131540-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL DISPLAY ELEMENT AND COMPOUND DIC CORPORATION (JP) 2023-04-27 — — US disclosed
CN-114929839-A Liquid crystal composition, liquid crystal display element and compound DIC株式会社 2022-08-19 — — CN disclosed
EP-1813611-B1 1-SUBSTITUTED-3- BETA-D-GLYCOPYRANOSYLATED NITROGENOUS HETERO- CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2014-10-01 — — EP disclosed
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 — — US disclosed
US-7750145-B2 1-substituted-3-β-D-glucopyranosylated nitrogenous hetero-cyclic compounds and medicines containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 — — US disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 — — US disclosed
US-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-03-19 — — 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 (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-20090074738-A1 1-SUBSTITUTED-3-BETA-D-GLUCOPYRANOSYLATED NITROGENOUS HETERO-CYCLIC COMPOUNDS AND MEDICINES CONTAINING THE SAME SLC5A1, SLC5A2, UGGT1 GSTP1 305/4885LMNA 2891/4885CYP1A2 712/4885

“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.

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