SCHEMBL126775

SCHEMBL126775

CC(=O)CCOCCC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
LMNA P02545 2/20 0.45
SLC15A2 Q16348 1/20 0.45
TDP1 Q9NUW8 2/20 0.39
ACHE P22303 1/20 0.38
PAOX Q6QHF9 1/20 0.38
CES2 O00748 1/20 0.37
TRPA1 O75762 1/20 0.37
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
TSHR P16473 4/20 0.36
CHRM1 P11229 1/20 0.32
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32

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
SCHEMBL17853277 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL17853276 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL17776318 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL10086608 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL18769029 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL18768950 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL17853275 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL22198371 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL22198424 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE
SCHEMBL17971011 0.97 ALDH1A1 (0.53) ALDH1A1LMNASLC15A2TDP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118019889-A Method for producing chemi-thermo-mechanical fibre pulp from non-woody plant material, and an automated line for producing said pulp by said method 瑞利夫业法国有限公司 2024-05-10 CN disclosed
US-20230346948-A1 Lipid conjugated peptide inhibitors of PICK1 UNIVERSITY OF COPENHAGEN (DK) 2023-11-02 US disclosed
US-20230285576-A1 TREATMENT OF CANCER USING A CYCLODEXTRIN-CONTAINING POLYMER-TOPOISOMERASE INHIBITOR CONJUGATE AND A PARP INHIBITOR ELLIPSES PHARMA LTD (GB) 2023-09-14 US disclosed
CN-111606806-A Degradable photoresist resin monomer synthesized from dimethyl bicyclo [3.3.1] nonane diketone and synthesis method thereof 徐州博康信息化学品有限公司 2020-09-01 CN disclosed
EP-3100728-B1 PHARMACEUTICAL COMPOSITIONS COMPRISING PRASUGREL AND CYCLODEXTRIN DERIVATIVES AND METHODS OF MAKING AND USING THE SAME CYDEX PHARMACEUTICALS INC (US) 2019-11-20 EP disclosed
WO-2019078522-A1 CEREBLON PROTEIN DEGRADATION INDUCING COMPOUND, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL COMPOSITION FOR PREVENTING OR TREATING CANCER, CONTAINING SAME AS ACTIVE INGREDIENT 한국화학연구원 2019-04-25 WO disclosed
US-10111863-B2 Pharmaceutical compositions comprising prasugrel and cyclodextrin derivatives and methods of making and using the same CYDEX PHARMACEUTICALS, INC. (US) 2018-10-30 US disclosed
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-12-14 US disclosed
WO-2017205964-A1 AMINOSTEROID DERIVATIVES AND PROCESS FOR PRODUCING SAME UNIVERSITé LAVAL (CA) 2017-12-07 WO disclosed
US-20170274091-A1 BENZODIAZEPINES AND CONJUGATES THEREOF IMMUNOGEN, INC. 2017-09-28 US disclosed
US-20110160159-A1 TREATMENT OF CANCER CERULEAN PHARMA INC. 2011-06-30 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
US-20110152512-A1 CYCLODEXTRIN-BASED POLYMERS FOR THERAPEUTICS DELIVERY CERULEAN PHARMA INC. 2011-06-23 US disclosed
WO-2010132711-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING PRASUGREL AND CYCLODEXTRIN DERIVATIVES AND METHODS OF MAKING AND USING THE SAME CYDEX PHARMACEUTICALS, INC. (US) 2010-11-18 WO disclosed
US-20100291056-A1 Pharmaceutical Compositions Comprising Prasugrel and Cyclodextrin Derivatives and Methods of Making and Using the Same CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2010-11-18 US disclosed
US-20100273193-A1 Triacetone Triperoxide and Diacetone Diperoxide Derivatives, Method for the Preparation and Use Thereof BAM Bundesanstalt fur Materialforschung und-pruefung (DE) 2010-10-28 US disclosed
US-4524207-A Process for preparing substituted 1,3-dihydrospiro[benzo(c)thiophene]s HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-06-18 US disclosed
US-4409229-A Antidepressive and tranquilizing substituted 1,3-dihydrospiro[benzo(c)thiophene]s HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1983-10-11 US disclosed
EP-0030092-A1 Guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1981-06-10 EP disclosed
US-4021546-A Pro-drug forms of digoxin and method of preparing and using same INTERX RESEARCH CORPORATION (US) 1977-05-03 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 (8 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-20230285576-A1 TREATMENT OF CANCER USING A CYCLODEXTRIN-CONTAINING POLYMER-TOPOISOMERASE INHIBITOR CONJUGATE AND A PARP INHIBITOR PARP1, TOP1, PARP2 ALDH1A1 536/4885LMNA 1474/4885SLC15A2 3876/4885
US-10111863-B2 Pharmaceutical compositions comprising prasugrel and cyclodextrin derivatives and methods of making and using the same P2RY6, GP6, PFKP ALDH1A1 2763/4885LMNA 3458/4885SLC15A2 2627/4885
US-20230346948-A1 Lipid conjugated peptide inhibitors of PICK1 PEBP1, DAB2IP, PDCD6IP ALDH1A1 4699/4885LMNA 4373/4885SLC15A2 4234/4885
US-20170274091-A1 BENZODIAZEPINES AND CONJUGATES THEREOF GABBR1, GABRA1, GABBR2 ALDH1A1 246/4885LMNA 1844/4885SLC15A2 1379/4885
US-20100291056-A1 Pharmaceutical Compositions Comprising Prasugrel and Cyclodextrin Derivatives and Methods of Making and Using the Same P2RY6, GP6, PFKP ALDH1A1 2763/4885LMNA 3458/4885SLC15A2 2627/4885
US-20100273193-A1 Triacetone Triperoxide and Diacetone Diperoxide Derivatives, Method for the Preparation and Use Thereof NASP, HSD17B1, PM20D2 ALDH1A1 145/4885LMNA 3250/4885SLC15A2 1997/4885
US-20170355743-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 ALDH1A1 4716/4885LMNA 4484/4885SLC15A2 2837/4885
US-20110160159-A1 TREATMENT OF CANCER TOP1, TOP2A, TOP2B ALDH1A1 1266/4885LMNA 1598/4885SLC15A2 3450/4885

“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.