SCHEMBL891003

SCHEMBL891003

CCOC(=O)C[C@H](O)C(=O)OCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.50
GAA P10253 1/20 0.50
SI P14410 1/20 0.50
MGAM2 Q2M2H8 1/20 0.50
ALDH1A1 P00352 7/20 0.46
TRPA1 O75762 1/20 0.46
ALOX15 P16050 3/20 0.46
CYP3A4 P08684 2/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
HSD17B10 Q99714 2/20 0.44
CHRM1 P11229 1/20 0.44
ADORA1 P30542 1/20 0.44
LMNA P02545 1/20 0.40
CYP2D6 P10635 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
SOAT1 P35610 1/20 0.39
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL4388130 1.00 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL122314 1.00 MGAM (0.50) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22718395 0.98 MGAM (0.48) MGAMGAASIMGAM2ALDH1A1
Alcohol SCHEMBL10979775 0.96 MGAM (0.46) MGAMGAASIMGAM2ALDH1A1
SCHEMBL28250077 0.94 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
Malonic Acid Diethyl Ester SCHEMBL28250078 0.94 GAA (0.62) MGAMGAASIMGAM2ALDH1A1
SCHEMBL21055891 0.92 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1
SCHEMBL12189521 0.89 MGAM (0.44) MGAMGAASIMGAM2ALDH1A1
SCHEMBL1233485 0.88 MGAM (0.42) MGAMGAASIMGAM2ALDH1A1
SCHEMBL22303945 0.87 MGAM (0.43) MGAMGAASIMGAM2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292412-B Covalent organic framework material based on quinoline ring connection and preparation method thereof 北京理工大学 2022-09-20 CN claimed
CN-114292412-A Covalent organic framework material based on quinoline ring connection and preparation method thereof 北京理工大学 2022-04-08 CN claimed
US-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates BIOCRYST PHARMACEUTICALS, INC. (US) 2006-06-15 US claimed
US-20250074887-A1 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF Sea Pharmaceuticals LLC. (US) 2025-03-06 US disclosed
US-20250059187-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE UNIV CALIFORNIA (US) 2025-02-20 US disclosed
EP-4452416-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2024-10-30 EP disclosed
CN-118786129-A Covalent binding inhibitors of G12S, G D and/or G12E mutants of K-RAS GTPases 加利福尼亚大学董事会 2024-10-15 CN disclosed
WO-2023131362-A1 PHENYLPROPANOID DERIVATIVES USTAV EXPERIMENTALNI BOTANIKY AV ČR, V. V. I. (CZ) 2023-07-13 WO disclosed
CN-116396285-A Preparation and application of deuterated tetrahydrofuran compound 上海华汇拓医药科技有限公司 2023-07-07 CN disclosed
WO-2023122662-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-06-29 WO disclosed
US-20220098191-A1 G-A CROSSLINKING CYTOTOXIC AGENTS Pheon Therapeutics Ltd. (GB) 2022-03-31 US disclosed
US-20040249175-A1 Method for the preparation of hexahydro-furo-[2,3-b]furan-3-ol Janssen Sciences Ireland Unlimited Company (IE) 2004-12-09 US disclosed
CN-1553915-A Process for preparing hexahydro-furo [2, 3-b ] furan-3-ol ̩���ؿ�ҩƷ���޹�˾ 2004-12-08 CN disclosed
EP-1448567-A1 METHOD FOR THE PREPARATION OF HEXAHYDRO-FURO 2,3-B]FURAN-3-OL Tibotec Pharmaceuticals Ltd. (IE) 2004-08-25 EP disclosed
WO-2003022853-A1 METHOD FOR THE PREPARATION OF HEXAHYDRO-FURO[2,3-B]FURAN-3-OL TIBOTEC PHARMACEUTICALS LTD. (IE) 2003-03-20 WO disclosed
CN-1101368-C Process for prepn. of butane triols AVECIA LTD (GB) 2003-02-12 CN disclosed
US-6376683-B1 ESTERIFICATION OF MALIC ACID WITH ALCOHOL; REDUCTION; CYCLIZATION COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2002-04-23 US disclosed
CN-1234016-A Process for prepn. of butane triols ZENECA LTD (GB) 1999-11-03 CN disclosed
US-5342981-A Substantially isomerically pure hexane or hexene compounds ABBOTT LABORATORIES (US) 1994-08-30 US disclosed
US-5229518-A Isomerically pure 2-piperidone compounds ABBOTT LABORATORIES (US) 1993-07-20 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-20250074887-A1 PHARMACEUTICAL COMPOSITIONS OF 6-(2-(2H-TETRAZOL-5-YL)ETHYL)DECAHYDROISOQUINOLINE-3-CARBOXYLIC ACID AND DERIVATIVES THEREOF GABRQ, GRIK5, CYP3A7 MGAM 2966/4885GAA 361/4885SI 1325/4885
US-20220098191-A1 G-A CROSSLINKING CYTOTOXIC AGENTS CCNA1, GNA15, RPS26 MGAM 4497/4885GAA 3482/4885SI 4565/4885
US-20250059187-A1 COVALENTLY BINDING INHIBITORS OF G12S, G12D AND/OR G12E MUTANTS OF K-RAS GTPASE KRAS, HRAS, NRAS MGAM 2145/4885GAA 2872/4885SI 2273/4885
US-20040249175-A1 Method for the preparation of hexahydro-furo-[2,3-b]furan-3-ol HAAO, BBOX1, FBP1 MGAM 595/4885GAA 1530/4885SI 871/4885
US-20060128789-A1 Process for the preparation of substituted pyrrolidine derivatives and intermediates PNISR, PNMT, GRHPR MGAM 541/4885GAA 2655/4885SI 376/4885

“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.