SCHEMBL3735582

SCHEMBL3735582

CC(=O)c1ccc2c(c1)OCCCO2

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
NPC1 O15118 6/20 0.63
RAB9A P51151 6/20 0.63
ALDH1A1 P00352 2/20 0.59
TSHR P16473 2/20 0.58
ATM Q13315 1/20 0.57
KMT2A Q03164 1/20 0.56
HPGD P15428 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
TP53 P04637 1/20 0.55
POLB P06746 1/20 0.54
CASP3 P42574 1/20 0.54
SENP8 Q96LD8 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
SENP6 Q9GZR1 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
RECQL P46063 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
SCHEMBL13596352 0.96 KDM4E (0.77) KDM4ENPC1RAB9AALDH1A1TSHR
SCHEMBL102971 0.92 KDM4E (0.89) KDM4ENPC1RAB9ATSHRATM
SCHEMBL10031401 0.87 KDM4E (1.00) KDM4ENPC1RAB9ATSHRATM
SCHEMBL14937523 0.87 KDM4E (1.00) KDM4ENPC1RAB9ATSHRATM
SCHEMBL16343224 0.87 KDM4E (0.60) KDM4ENPC1RAB9AALDH1A1TSHR
SCHEMBL14849222 0.87 KDM4E (1.00) KDM4ENPC1RAB9ATSHRATM
3,4-Methylendioxy Acetophenone SCHEMBL137979 0.85 KDM4E (0.71) KDM4ENPC1RAB9AALDH1A1TSHR
3,4-Methylendioxy Acetophenone SCHEMBL29405437 0.85 KDM4E (0.71) KDM4ENPC1RAB9AALDH1A1TSHR
SCHEMBL15188497 0.84 KDM4E (0.60) KDM4ENPC1RAB9AALDH1A1TSHR
SCHEMBL3064183 0.83 ALDH1A1 (0.72) KDM4ENPC1RAB9AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3634403-B1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA MAX PLANCK GESELLSCHAFT (DE) 2025-06-25 EP disclosed
US-12187741-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2025-01-07 US disclosed
US-20220411440-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2022-12-29 US disclosed
US-11180518-B2 Phenyl-heterocycle-phenyl derivatives for use in the treatment or prevention of melanoma MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-11-23 US disclosed
CN-107108601-B Glycosidase inhibitors 阿森纽荣股份公司 2021-08-20 CN disclosed
EP-3186243-B1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2021-07-21 EP disclosed
US-11046712-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2021-06-29 US disclosed
US-20200165279-A1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2020-05-28 US disclosed
US-10336775-B2 Glycosidase inhibitors ASCENEURON SA (CH) 2019-07-02 US disclosed
US-20170298082-A1 GLYCOSIDASE INHIBITORS ASCENEURON SA (CH) 2017-10-19 US disclosed
US-7638526-B2 Azetidine derivatives useful in treating pain, diabetes and disorders of lipid metabolism SCHERING CORPORATION (US) 2009-12-29 US disclosed
EP-2114867-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2009-11-11 EP disclosed
EP-1465880-B1 5-SULPHANYL-4H-1,2,4-TRIAZOLE DERIVATIVES AND THEIR USE TO TREAT DISORDERS ASSOCIATED WITH SOMATOSTATINE IPSEN PHARMA (FR) 2009-08-05 EP disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
US-7452873-B2 Inhibitors of GSK-3 and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-18 US disclosed
WO-2008107335-A1 AMINOAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-12 WO disclosed
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-09-11 US disclosed
US-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM SCHERING CORPORATION 2008-04-17 US disclosed
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof MERCK SHARP & DOHME CORP. 2008-03-27 US disclosed
WO-2008033464-A2 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF DISORDERS OF THE LIPID METABOLISM SCHERING CORPORATION (US) 2008-03-20 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 (10 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-20080089858-A1 AZETIDINE DERIVATIVES USEFUL IN TREATING PAIN, DIABETES AND DISORDERS OF LIPID METABOLISM GPR119, PNLIP, CYP46A1 KDM4E 2338/4885NPC1 7/4885RAB9A 272/4885
US-20220411440-A1 GLYCOSIDASE INHIBITORS GAA, ENGASE, GBA3 KDM4E 1907/4885NPC1 386/4885RAB9A 730/4885
US-12187741-B2 Glycosidase inhibitors GAA, ENGASE, GBA3 KDM4E 1907/4885NPC1 386/4885RAB9A 730/4885
US-20200165279-A1 PHENYL-HETEROCYCLE-PHENYL DERIVATIVES FOR USE IN THE TREATMENT OR PREVENTION OF MELANOMA TYR, MITF, VHL KDM4E 161/4885NPC1 1279/4885RAB9A 2195/4885
US-20170298082-A1 GLYCOSIDASE INHIBITORS GAA, ENGASE, GBA3 KDM4E 1907/4885NPC1 386/4885RAB9A 730/4885
US-10336775-B2 Glycosidase inhibitors GAA, ENGASE, GBA3 KDM4E 1907/4885NPC1 386/4885RAB9A 730/4885
US-20080076751-A1 Azetidinone Derivatives and Methods of Use Thereof LIPC, ZDHHC20, FABP1 KDM4E 921/4885NPC1 65/4885RAB9A 4072/4885
US-11180518-B2 Phenyl-heterocycle-phenyl derivatives for use in the treatment or prevention of melanoma TYR, MITF, VHL KDM4E 161/4885NPC1 1279/4885RAB9A 2195/4885
US-20080221166-A1 AMINOAMIDES AS OREXIN ANTAGONISTS HCRTR1, HCRTR2, HRH3 KDM4E 1317/4885NPC1 2212/4885RAB9A 1267/4885
US-11046712-B2 Glycosidase inhibitors GAA, ENGASE, GBA3 KDM4E 1907/4885NPC1 386/4885RAB9A 730/4885

“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.