SCHEMBL851220

SCHEMBL851220

O=C(NC1CCC(O)CC1)OCc1ccccc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
GAA P10253 1/20 0.76
TSHR P16473 1/20 0.72
EPHX1 P07099 1/20 0.64
DPP4 P27487 6/20 0.58
DPP7 Q9UHL4 6/20 0.58
KCNH2 Q12809 3/20 0.58
CTSL P07711 1/20 0.57
CTSB P07858 1/20 0.57
CTSK P43235 1/20 0.57
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
TLR4 O00206 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
ACHE P22303 1/20 0.52
KDM1A O60341 1/20 0.52
MAOB P27338 1/20 0.52
JAK2 O60674 1/20 0.52
JAK1 P23458 1/20 0.52

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
SCHEMBL761181 1.00 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL9555876 1.00 ALDH1A1 (0.76) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948456 0.94 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL381922 0.94 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3948461 0.94 ALDH1A1 (0.85) ALDH1A1GAATSHREPHX1DPP4
Hydrochloric Acid SCHEMBL28135182 0.92 ALDH1A1 (0.83) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL328941 0.91 EPHX1 (0.69) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL4754108 0.91 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL3547532 0.91 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1DPP4
SCHEMBL1182961 0.91 ALDH1A1 (0.68) ALDH1A1GAATSHREPHX1DPP4

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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113646479-B Method for strengthening non-keratin fibers and use thereof 埃斯普投资有限公司 2023-06-13 CN claimed
WO-2025133989-A1 SMYD MODULATORS AND USES THEREOF ALT-BIO PTE. LTD. (SG) 2025-06-26 WO disclosed
CN-118591536-A IRAK4 inhibitors 阿斯利康(瑞典)有限公司 2024-09-03 CN disclosed
CN-113646479-B Method for strengthening non-keratin fibers and use thereof 埃斯普投资有限公司 2023-06-13 CN disclosed
CN-115381814-A Application of schisantherin A in preparation of medicine for treating cholestatic liver disease 上海中医药大学附属曙光医院 2022-11-25 CN disclosed
US-11414410-B2 Inhibitors of protein kinases ALEXION PHARMACEUTICALS, INC. (US) 2022-08-16 US disclosed
WO-2021190727-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2021-09-30 WO disclosed
EP-3134091-A1 IRAK INHIBITORS AND USES THEREOF Nimbus Iris, Inc. (US) 2017-03-01 EP disclosed
CN-106413715-A IRAK inhibitors and uses thereof 林伯士艾瑞斯公司 2017-02-15 CN disclosed
EP-2594550-B1 METHOD FOR OXIDIZING ALCOHOLS UNIV TOHOKU (JP) 2016-10-12 EP disclosed
EP-1458683-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2004-09-22 EP disclosed
US-6727247-B2 ADENOSINE RECEPTOR LIGANDS IN A METHOD OF TREATMENT, CONTROL, OR PREVENTION OF CENTRAL NERVOUS SYSTEM DISORDERS HOFFMAN-LA ROCHE INC. 2004-04-27 US disclosed
US-20030186984-A1 Substituted cyclohexane derivatives HOFFMAN-LA ROCHE INC. 2003-10-02 US disclosed
US-20030149036-A1 Substituted benzothiazole amide derivatives HOFFMAN-LA ROCHE INC. 2003-08-07 US disclosed
WO-2003053933-A1 HETEROARYL-SUBSTITUTED AMINOCYCLOHEXANE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2003-07-03 WO disclosed
EP-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors F.HOFFMANN-LA ROCHE AG (CH) 2002-04-18 US disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed
US-5849732-A Phenol compound having antioxidative activity and the process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1998-12-15 US disclosed
EP-0790240-A1 Phenol-derivatives having pharmaceutical activity and process for preparing the same TANABE SEIYAKU CO., LTD. (JP) 1997-08-20 EP 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 (4 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-20030149036-A1 Substituted benzothiazole amide derivatives ADORA2A, ADORA1, ADORA2B ALDH1A1 512/4885GAA 604/4885TSHR 275/4885
US-20030186984-A1 Substituted cyclohexane derivatives CYP51A1, LSS, CYP46A1 ALDH1A1 414/4885GAA 889/4885TSHR 4053/4885
US-11414410-B2 Inhibitors of protein kinases MAP3K1, MAP3K20, MAP3K2 ALDH1A1 3704/4885GAA 3176/4885TSHR 4397/4885
US-20020045777-A1 2,3-oxidosqualene-lanosterol cyclase inhibitors CYP51A1, LSS, CYP46A1 ALDH1A1 2260/4885GAA 824/4885TSHR 4271/4885

“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.