SCHEMBL2289470

SCHEMBL2289470

CCOC(=O)[C]1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KDM4E B2RXH2 4/20 0.45
MAPT P10636 4/20 0.45
ALOX15 P16050 3/20 0.45
GAA P10253 3/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.42
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA7 P43166 3/20 0.41
CA9 Q16790 3/20 0.41
CA14 Q9ULX7 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL3636250 0.98 KDM4E (0.46) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL1515138 0.93
SCHEMBL303623 0.88
SCHEMBL11154948 0.83 ALDH1A1 (0.47) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL10667343 0.80 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTGAAMAPK1
SCHEMBL5120555 0.79 TSHR (0.50) ALDH1A1MAPK1HPGDHSD17B10TSHR
SCHEMBL234027 0.79 KDM4E (0.55) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL73853 0.78 KDM4E (0.46) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL6586283 0.78 CYP1A2 (0.41) ALDH1A1KDM4EMAPTALOX15GAA
SCHEMBL8480122 0.77 KDM4E (0.48) ALDH1A1KDM4EMAPTALOX15GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102365273-A Thiadiazole and oxadiazole derivatives, preparation thereof, and therapeutic use thereof SANOFI AVENTIS 2012-02-29 CN claimed
US-20230110603-A1 3-ALKOXYBENZAMIDE DERIVATIVE, AND PEST CONTROL AGENT KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2023-04-13 US disclosed
CN-109996792-B Heterocyclic compounds having activity as modulators of muscarinic M1 and/or M4 receptors in the treatment of CNS diseases and pain 赫普泰雅治疗有限公司 2023-02-17 CN disclosed
EP-4098650-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT Kumiai Chemical Industry Co., Ltd. (JP) 2022-12-07 EP disclosed
CN-115052856-A 3-alkoxybenzamide derivative and pest control agent 组合化学工业株式会社 2022-09-13 CN disclosed
WO-2021153720-A1 3-ALKOXY BENZOIC ACID AMIDE DERIVATIVE, AND PEST CONTROL AGENT クミアイ化学工業株式会社 2021-08-05 WO disclosed
CN-107690434-B Fused tricyclic imidazopyrazine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2021-07-30 CN disclosed
CN-105829307-B Tetrahydroimidazopyridine derivatives as modulators of TNF activity UCB生物制药私人有限公司 2020-07-24 CN disclosed
EP-3080128-B1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
EP-3080127-B1 IMIDAZOPYRIMIDINE DERIVATIVES AS MODULATORS OF TNF ACTIVITY UCB Biopharma SRL (BE) 2020-06-24 EP disclosed
US-5656604-A HYPOTENSIVE AGENT; ENDOTHELIN ANTAGONIST FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-08-12 US disclosed
WO-1997009319-A1 SUBSTITUTED 1-AMINO-3-PHENYLURACIL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
WO-1997001541-A1 SUBSTITUTED CYANOPHENYL URACILS BAYER AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
US-5430022-A Endothelin antagonists; hypotensive agents; treatment for angina pectoris, brain disorders, asthma, renal failure FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-04 US disclosed
US-5284828-A Hypotensive agents FUJISAWA PHARMACEUTICAL CO. LTD. (JP) 1994-02-08 US disclosed
CN-1057269-A Peptide compounds and preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1991-12-25 CN disclosed
EP-0457195-A2 Peptides having endothelin antagonist activity, a process for preparation thereof and pharmaceutical compositions comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-21 EP disclosed
US-4845223-A FLUORESCENT PERYLENE DYES BASF AKTIENGESELLSCHAFT (DE) 1989-07-04 US disclosed
US-4396620-A BACTERICIDES ELI LILLY AND COMPANY (US) 1983-08-02 US disclosed
US-3932423-A TREATMENT OF PSYCHOLOGICAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES (JA) 1976-01-13 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-20230110603-A1 3-ALKOXYBENZAMIDE DERIVATIVE, AND PEST CONTROL AGENT CBR3, ALK, BRS3 ALDH1A1 1088/4885KDM4E 782/4885MAPT 4258/4885

“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.