SCHEMBL3974919

SCHEMBL3974919

C#CCC(CC#C)(C(=O)OC)C(=O)OC

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
DGAT1 O75907 1/20 0.33
ACHE P22303 1/20 0.33
PTPRB P23467 2/20 0.32
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.31
KCNN4 O15554 1/20 0.30

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
SCHEMBL16994587 0.88 ALDH1A1 (0.33) ALDH1A1CYP3A4MMP1MMP9MMP13
SCHEMBL18927312 0.84 ALDH1A1 (0.32) ALDH1A1CYP3A4MMP1MMP9MMP13
SCHEMBL18937756 0.84 MMP1 (0.33) ALDH1A1CYP3A4MMP1MMP9MMP13
SCHEMBL27893535 0.82 CYP2C19 (0.33) ALDH1A1CYP3A4
SCHEMBL12333972 0.81 ALDH1A1 (0.32) ALDH1A1CYP3A4MMP1MMP9MMP13
SCHEMBL30253452 0.81 ALDH1A1 (0.30) ALDH1A1CYP3A4
SCHEMBL31454014 0.80 ALDH1A1 (0.32) ALDH1A1CYP3A4
SCHEMBL1316720 0.79 ALDH1A1 (0.37) ALDH1A1CYP3A4MMP1MMP9MMP13
SCHEMBL20502638 0.77 ALDH1A1 (0.36) ALDH1A1CYP3A4MMP1MMP9MMP13
SCHEMBL22498238 0.77 ALDH1A1 (0.36) ALDH1A1CYP3A4MMP1MMP9MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6716947-B1 CYCLOPOLYMERIZED USING SUPERCRITICAL OR SUBCRITICAL CARBON DIOXIDE AS A SOLVENT WITH TRANSITION METAL CHLORIDE CATALYST KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-06 US claimed
US-20240190880-A1 SMALL MOLECULE DEGRADERS OF ESTROGEN RECEPTOR WITH CEREBLON LIGANDS REGENTS OF THE UNIVERSITY OF MICHIGAN 2024-06-13 US disclosed
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND UNIV MICHIGAN REGENTS (US) 2023-11-09 US disclosed
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION HOFFMANN-LA ROCHE INC. (US) 2023-06-01 US disclosed
EP-4126855-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION F. Hoffmann-La Roche AG (CH) 2023-02-08 EP disclosed
US-20220388978-A1 CEREBLON E3 LIGASE INHIBITORS REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-08 US disclosed
US-20220380368-A1 SPIROCYCLIC ANDROGEN RECEPTOR PROTEIN DEGRADERS REGENTS OF THE UNIVERSITY OF MICHIGAN 2022-12-01 US disclosed
CN-115298176-A Compounds and their use in the treatment of bacterial infections 豪夫迈·罗氏有限公司 2022-11-04 CN disclosed
WO-2022187588-A1 SMALL MOLECULE DEGRADERS OF ESTROGEN RECEPTOR WITH CEREBLON LIGANDS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2022-09-09 WO disclosed
EP-4031241-A1 SPIROCYCLIC ANDROGEN RECEPTOR PROTEIN DEGRADERS The Regents Of The University Of Michigan (US) 2022-07-27 EP disclosed
EP-4021580-A1 CEREBLON E3 LIGASE INHIBITORS The Regents Of The University Of Michigan (US) 2022-07-06 EP disclosed
CN-113527360-A Application of phosphine nitrogen ligand and complex thereof in catalyzing asymmetric reaction 南方科技大学 2021-10-22 CN 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
CN-106543232-B Metal bridge location fused ring compound and its preparation method and application 厦门大学 2019-01-11 CN disclosed
WO-2009044130-A1 BIARYL DIPHOSPHINES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2009-04-09 WO disclosed
CN-1951903-A Process for preparing 2-cyclohexenone compounds UNIV ZHEJIANG (CN) 2007-04-25 CN disclosed
US-6716947-B1 CYCLOPOLYMERIZED USING SUPERCRITICAL OR SUBCRITICAL CARBON DIOXIDE AS A SOLVENT WITH TRANSITION METAL CHLORIDE CATALYST KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-06 US disclosed
US-6716947-B1 CYCLOPOLYMERIZED USING SUPERCRITICAL OR SUBCRITICAL CARBON DIOXIDE AS A SOLVENT WITH TRANSITION METAL CHLORIDE CATALYST KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-06 US disclosed
US-6716947-B1 CYCLOPOLYMERIZED USING SUPERCRITICAL OR SUBCRITICAL CARBON DIOXIDE AS A SOLVENT WITH TRANSITION METAL CHLORIDE CATALYST KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-06 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 (5 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-20230357249-A1 ANDROGEN RECEPTOR PROTEIN DEGRADERS WITH A TRICYCLIC CEREBLON LIGAND AR, GPER1, CRBN ALDH1A1 291/4885CYP3A4 421/4885MMP1 1736/4885
US-20220380368-A1 SPIROCYCLIC ANDROGEN RECEPTOR PROTEIN DEGRADERS AR, NR5A1, ESRRA ALDH1A1 132/4885CYP3A4 597/4885MMP1 1105/4885
US-20230167127-A1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTION LTB4R, C5, C3AR1 ALDH1A1 842/4885CYP3A4 374/4885MMP1 1134/4885
US-20240190880-A1 SMALL MOLECULE DEGRADERS OF ESTROGEN RECEPTOR WITH CEREBLON LIGANDS ESR1, CRBN, ESR2 ALDH1A1 1261/4885CYP3A4 856/4885MMP1 3892/4885
US-20220388978-A1 CEREBLON E3 LIGASE INHIBITORS CRBN, CUL3, UBE3A ALDH1A1 3487/4885CYP3A4 4192/4885MMP1 4520/4885

“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.