SCHEMBL46654

SCHEMBL46654

CNCCNC(=O)OC(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.58
MEN1 O00255 1/20 0.55
GAA P10253 1/20 0.55
KMT2A Q03164 1/20 0.55
EPHX1 P07099 1/20 0.51
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
CA12 O43570 7/20 0.47
CA1 P00915 7/20 0.47
CA2 P00918 7/20 0.47
CA9 Q16790 7/20 0.47
MALT1 Q9UDY8 1/20 0.44
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
BCHE P06276 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GFER P55789 1/20 0.42
IDO1 P14902 1/20 0.41
NQO2 P16083 1/20 0.39

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
Hydrochloric Acid SCHEMBL594676 0.98 TDP1 (0.56) TDP1MEN1GAAKMT2AEPHX1
Ammonia Solution, Strong SCHEMBL17160804 0.98 TDP1 (0.56) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL3341020 0.91 TDP1 (0.67) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL23568999 0.89 TDP1 (0.49) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL691053 0.88 TDP1 (0.70) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL694362 0.88 TDP1 (0.65) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL10243062 0.87 TDP1 (0.46) TDP1MEN1GAAKMT2AEPHX1
Bromide SCHEMBL17818451 0.86 TDP1 (0.62) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL21996829 0.86 TDP1 (0.73) TDP1MEN1GAAKMT2AEPHX1
SCHEMBL12772839 0.86 TDP1 (0.73) TDP1MEN1GAAKMT2AEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118307597-A Mitochondrial-targeted hypoxia response prodrug as well as preparation method and application thereof 中山大学 2024-07-09 CN claimed
CN-117384642-A Selective etching solution 湖北兴福电子材料股份有限公司 2024-01-12 CN claimed
CN-114437094-A Alkaloid with antitumor activity, and preparation method and application thereof 西藏大学 2022-05-06 CN claimed
CN-109879780-B Preparation method of (2-methylamine-ethyl) -tert-butyl carbamate 上海卡洛化学有限公司 2021-06-29 CN claimed
WO-2016029146-A1 SPECIFIC INHIBITORS OF METHIONYL-TRNA SYNTHETASE UNIVERSITY OF WASHINGTON (US) 2016-02-25 WO claimed
US-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2026-05-28 US disclosed
EP-3761989-B1 IMIDAZODIAZEPINEDIONES AND METHODS OF USE THEREOF GFB ABC LLC (US) 2026-05-13 EP disclosed
US-12617797-B2 Substituted pyrazolo [1,5-a]pyrimidines having multimodal activity against pain ESTEVE PHARMACEUTICALS, S.A. (ES) 2026-05-05 US disclosed
US-12617805-B2 Codrug that disintegrates in intestine, preparation therefor, and use thereof ENNOVABIO (ZHEJIANG) PHARMACEUTICALS CO., LTD. (CN) 2026-05-05 US disclosed
WO-2026087635-A1 DIHYDRO BENZOXAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2026-04-30 WO disclosed
EP-4731611-A1 TARGETED DEGRADERS OF HIV-1 NEF FOR THE TREATMENT OF HIV DISEASE UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2026-04-29 EP disclosed
US-12612427-B2 Aryl glucoside derivative, preparation method therefor and application thereof SHANGHAI ZHEYE BIOTECHNOLOGY CO. LTD. (CN) 2026-04-28 US disclosed
US-6410576-B1 ANTIINFLAMMATORY AGENTS; CARDIOVASCULAR DISORDERS SANTEN PHARMACEUTICAL CO., LTD. (JP) 2002-06-25 US disclosed
EP-1212299-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca UK Limited (GB) 2002-06-12 EP disclosed
EP-0874841-B1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-10-04 EP disclosed
EP-1103560-A1 NOVEL THIAZOLIDINE DERIVATIVES SANTEN PHARMACEUTICAL CO., LTD. (JP) 2001-05-30 EP disclosed
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 US disclosed
WO-2001014333-A1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LIMITED (GB) 2001-03-01 WO disclosed
EP-0874841-A1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR B2 ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-11-04 EP disclosed
WO-1997024349-A1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-07-10 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 (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-20260146042-A1 PYRROLOPYRIMIDINE COMPOUNDS AND THEIR USES CDK9, CDK6, CDK7 TDP1 326/4885MEN1 2512/4885GAA 3092/4885
US-12617797-B2 Substituted pyrazolo [1,5-a]pyrimidines having multimodal activity against pain SIGMAR1, OPRD1, OPRL1 TDP1 2306/4885MEN1 4846/4885GAA 4476/4885
US-12612427-B2 Aryl glucoside derivative, preparation method therefor and application thereof SLC5A1, SLC10A1, SLC5A2 TDP1 2174/4885MEN1 1849/4885GAA 968/4885
US-12617805-B2 Codrug that disintegrates in intestine, preparation therefor, and use thereof IRAK4, JAK1, VIP TDP1 1482/4885MEN1 2797/4885GAA 4805/4885

“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.