SCHEMBL675867

SCHEMBL675867

COC(=O)[C@@H]1OC(C)(C)O[C@H]1C(=O)OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
ITGA4 P13612 1/20 0.47
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PGD P52209 1/20 0.39
KMT2A Q03164 2/20 0.35
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
PPM1B O75688 1/20 0.32
PTPN1 P18031 1/20 0.32
PPP1CC P36873 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
SCHEMBL12826506 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL10266772 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL2749036 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL9979878 1.00 ALDH1A1 (0.47) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL18219200 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL2526095 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL17885970 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL527434 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL17885973 0.91 ALDH1A1 (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1
SCHEMBL13587126 0.91 MAPT (0.42) ALDH1A1MAPTITGA4MAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025053792-A1 COLLECTIVE SYNTHESIS OF PHANTOMOLIN FAMILY THROUGH TOTAL SYNTHESIS OF THE SESQUITERPENE LACTONE MOLEPHANTIN NANYANG TECHNOLOGICAL UNIVERSITY (SG) 2025-03-13 WO disclosed
CN-114380733-B Chiral beta-amino acid derivative and preparation method thereof 常州大学 2024-01-26 CN disclosed
CN-114380733-A Chiral beta-amino acid derivative and preparation method thereof 常州大学 2022-04-22 CN disclosed
US-10765648-B2 iNKT cell modulators and methods of using the same LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2020-09-08 US disclosed
EP-2785683-B1 INKT CELL MODULATORS AND METHODS OF USING THE SAME LUDWIG INST FOR CANCER RES LTD (CH) 2020-02-05 EP disclosed
US-10314796-B2 iNKT cell modulators and methods of using the same LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2019-06-11 US disclosed
US-9708285-B2 Dioxolane derivative, liquid crystal composition, liquid crystal element, and liquid crystal display device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2017-07-18 US disclosed
US-9700532-B2 iNKT cell modulators and methods of using the same LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2017-07-11 US disclosed
US-20160361280-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2016-12-15 US disclosed
US-20160185746-A1 DIOXOLANE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE SEMICONDUCTOR ENERGY LAB (JP) 2016-06-30 US disclosed
US-5674531-A CONTROLLED DRUG DELIVERY, BIODEGRADATION, NONAGGREGATING HOECHST AKTIENGESELLSCHAFT (DE) 1997-10-07 US disclosed
US-5656660-A AMINE OR GUANIDINE GROUP-CONTAINING TRYPTASE INHIBITOR ARRIS PHARMACEUTICAL CORPORATION (US) 1997-08-12 US disclosed
US-5613494-A ULTRASONIC CONTRAST AGENT, MICROPARTICLES CONTAINING A GAS HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-25 US disclosed
US-5505784-A Polycondensates which contain tartaric acid derivatives, processes for their preparation and use thereof HOECHST AKTIENGESELLSCHAFT (DE) 1996-04-09 US disclosed
EP-0648769-A1 12-Hetero-substituted 6,11-ethano-6,11-dihydrobenzo[b] quinolizium salts and compositions and method of use thereof STERLING WINTHROP INC. (US) 1995-04-19 EP disclosed
US-5391696-A Biodegradable polyesters and polyamides for sustained drug delivery and as ultrasonic contrast agents in medical diagnosis, particularly blood circulation of the heart HOECHST AKTIENGESELLSCHAFT (DE) 1995-02-21 US disclosed
US-5380729-A Treatment or prevention of neurodegenerative disorders or neurotoxic injuries STERLING WINTHROP INC. (US) 1995-01-10 US disclosed
EP-0222522-B1 PLATINUM COORDINATION COMPOUNDS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1990-03-14 EP disclosed
US-4783452-A ANTITUMOR AGENTS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1988-11-08 US disclosed
EP-0222522-A2 Platinum coordination compounds JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 1987-05-20 EP 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-20160361280-A1 INKT CELL MODULATORS AND METHODS OF USING THE SAME PBK, NFATC1, UGCG ALDH1A1 1769/4885MAPT 4703/4885ITGA4 748/4885
US-10765648-B2 iNKT cell modulators and methods of using the same PBK, NFATC1, UGCG ALDH1A1 1769/4885MAPT 4703/4885ITGA4 748/4885
US-10314796-B2 iNKT cell modulators and methods of using the same PBK, NFATC1, UGCG ALDH1A1 1769/4885MAPT 4703/4885ITGA4 748/4885
US-20160185746-A1 DIOXOLANE DERIVATIVE, LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL ELEMENT, AND LIQUID CRYSTAL DISPLAY DEVICE DRD1, SFXN1, CCND1 ALDH1A1 571/4885MAPT 1842/4885ITGA4 4693/4885

“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.