SCHEMBL1007583

SCHEMBL1007583

CC(C)COC(=O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.45
ALDH1A1 P00352 3/20 0.41
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
POLB P06746 1/20 0.37
LDHA P00338 1/20 0.36
SRR Q9GZT4 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
Malonic Acid SCHEMBL6827958 0.98 TSHR (0.43) TSHRALDH1A1TDP1L3MBTL1GAA
Butane SCHEMBL5526854 0.94 TSHR (0.41) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL21925526 0.92 TSHR (0.39) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL243431 0.87 TSHR (0.56) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL10668310 0.85 MGAM (0.34) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL11880082 0.84 MAPT (0.50) TSHRGAAMGAMSIMGAM2
SCHEMBL28236036 0.83 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL27964667 0.83 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL6516125 0.82 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1GAA
SCHEMBL6516117 0.82 TSHR (0.42) TSHRALDH1A1TDP1L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4368686-B1 LUBRICITY IMPROVER COMPOSITION FOR FUEL OIL AND USE THEREOF CHINA PETROLEUM & CHEM CORP (CN) 2026-05-27 EP disclosed
US-12637680-B2 Recombinant host cells for the production of malonate LYGOS, INC. (US) 2026-05-26 US disclosed
US-12365847-B2 Lubricity improver composition for fuel oil and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2025-07-22 US disclosed
CN-119709450-A Recombinant host cells for malonate production 利戈斯股份有限公司 2025-03-28 CN disclosed
CN-114616330-B Recombinant host cells for malonate production 利戈斯股份有限公司 2025-01-03 CN disclosed
US-20240368490-A1 LUBRICITY IMPROVER COMPOSITION FOR FUEL OIL AND USE THEREOF Sinopec Research Institute of Petroleum Processing Co., Ltd. (CN) 2024-11-07 US disclosed
EP-4393937-A1 STEROID COMPOUND AND CONJUGATE THEREOF Duality Biologics (Suzhou) Co., Ltd. (CN) 2024-07-03 EP disclosed
US-20240191216-A1 RECOMBINANT HOST CELLS FOR THE PRODUCTION OF MALONATE LYGOS, INC. (US) 2024-06-13 US disclosed
EP-4374877-A2 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-29 EP disclosed
CN-118086086-A Recombinant host cells for malonate production 利戈斯股份有限公司 2024-05-28 CN disclosed
CN-102176820-A Liquid crop protection formulations containing pyraclostrobin BASF SE 2011-09-07 CN disclosed
US-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-05-19 US disclosed
EP-2277900-A1 METASTIN DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2011-01-26 EP disclosed
CN-1100067-C Components and catalysts for the polymerization of olefins MONTELL NORTH AMERICA INC (US) 2003-01-29 CN disclosed
EP-0847974-B1 Process for the preparation of cyclopropylacetylene and its derivatives KURARAY CO (JP) 2002-06-05 EP disclosed
US-5955627-A Process for the preparation of cyclopropylacetylene derivatives KURARAY CO., LTD. (JP) 1999-09-21 US disclosed
US-5861427-A ALLEVIATION OF OSTEOARTHRITIS, RHEUMATOID ARTHRITIS, SEPTIC ARTHRITIS, PERIODONTAL DISEASE, CORNEAL ULCERATION, PROTEINURIA, ANEURYSMAL AORTIC DISEASE, DYSTROPHOBIC EPIDERMOLYSIS BULLOSA, CONDITIONS LEADING TO INFLAMMATORY BAYER HEALTHCARE LLC 1999-01-19 US disclosed
EP-0847974-A1 Process for the preparation of cyclopropylacetylene and its derivatives KURARAY CO., LTD. (JP) 1998-06-17 EP disclosed
US-4602118-A AROMATIC KETONES CONTAINING ELECTROPHILIC GROUPS ARE PROMOTERS EXXON RESEARCH AND ENGINEERING CO. (US) 1986-07-22 US disclosed
EP-0082088-A1 Derivatives of amino acids and their therapeutic use Roques, Bernard (FR) 1983-06-22 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 (3 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-20110118172-A1 METASTIN DERIVATIVE AND USE THEREOF GNRHR, SHBG, INHA TSHR 1334/4885ALDH1A1 3515/4885TDP1 4668/4885
US-12637680-B2 Recombinant host cells for the production of malonate DCXR, ETV1, LYPLA2 TSHR 1351/4885ALDH1A1 1554/4885TDP1 3582/4885
US-20240191216-A1 RECOMBINANT HOST CELLS FOR THE PRODUCTION OF MALONATE ME1, MAL2, ME3 TSHR 2970/4885ALDH1A1 2274/4885TDP1 4178/4885

“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.