SCHEMBL4814879

SCHEMBL4814879

CC(C)OC(=O)OOOC(=O)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
HCAR2 Q8TDS4 1/20 0.37
CA12 O43570 6/20 0.33
CA1 P00915 6/20 0.33
CA2 P00918 6/20 0.33
CA9 Q16790 6/20 0.33
CA7 P43166 4/20 0.33
CA14 Q9ULX7 4/20 0.33
LMNA P02545 3/20 0.33
ADRA1A P35348 1/20 0.32
PDE4D Q08499 1/20 0.32
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL93666 0.94 TSHR (0.48) TSHRHCAR2CA12CA1CA2
SCHEMBL10601336 0.90 TSHR (0.40) TSHRHCAR2PDCD1CD274
Bicarbonate SCHEMBL30595887 0.89 TSHR (0.43) TSHRHCAR2CA12CA1CA2
SCHEMBL11776368 0.88 TSHR (0.39) TSHRHCAR2
SCHEMBL35335 0.88 TSHR (0.53) TSHRHCAR2CA12CA1CA2
SCHEMBL679600 0.87 TSHR (0.42) TSHRHCAR2CA12CA1CA2
Methyl Alcohol SCHEMBL28861340 0.85 TSHR (0.50) TSHRHCAR2CA12CA1CA2
SCHEMBL4368479 0.85 TSHR (0.40) TSHRHCAR2PDCD1CD274
SCHEMBL9848011 0.82 TSHR (0.39) TSHRHCAR2
SCHEMBL9847990 0.82 TSHR (0.39) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7452990-B2 4-halo-2-oxyimino-3-oxo butyric acid-N,N-dimethyl formiminium chloride chlorosulfate; cephalosporins that may be prepared from the intermediate include cefdinir, cefditoren pivoxil, cefepime, cefetamet pivoxil, cefixime, cefmenoxime, cefodizime, cefoselis, cefotaxime, cefpirome, cefpodoxime proxetil, etc LUPIN LIMITED (IN) 2008-11-18 US claimed
US-20060135761-A1 4-halo-2-oxyimino-3-oxo butyric acid-N,N-dimethyl formiminium chloride chlorosulfate; cephalosporins that may be prepared from the intermediate include cefdinir, cefditoren pivoxil, cefepime, cefetamet pivoxil, cefixime, cefmenoxime, cefodizime, cefoselis, cefotaxime, cefpirome, cefpodoxime proxetil, etc LUPIN LIMITED (IN) 2006-06-22 US claimed
EP-1575913-A1 NOVEL INTERMEDIATES FOR SYNTHESIS OF CEPHALOSPORINS AND PROCESS FOR PREPARATION OF SUCH INTERMEDIATES Lupin Limited (IN) 2005-09-21 EP claimed
WO-2004058695-A1 NOVEL INTERMEDIATES FOR SYNTHESIS OF CEPHALOSPORINS AND PROCESS FOR PREPARATION OF SUCH INTERMEDIATES LUPIN LIMITED (IN) 2004-07-15 WO claimed
JP-60047007-A None JP disclosed
US-20240227256-A1 THERMOSETTING COMPOSITION FOR INJECTION MOLDING, METHOD FOR PRODUCING MOLDED ARTICLE USING THE SAME, AND CURED PRODUCT IDEMITSU KOSAN CO.,LTD. (JP) 2024-07-11 US disclosed
US-20240208116-A1 THERMOSETTING COMPOSITION FOR INJECTION MOLDING, METHOD FOR PRODUCING MOLDED ARTICLE USING THE SAME, AND CURED PRODUCT IDEMITSU KOSAN CO.,LTD. (JP) 2024-06-27 US disclosed
US-20240199782-A1 THERMOSETTING COMPOSITION, METHOD FOR PRODUCING MOLDED ARTICLE USING THE SAME, AND CURED PRODUCT IDEMITSU KOSAN CO.,LTD. (JP) 2024-06-20 US disclosed
CN-115304563-A Maleic ester modifier, polymerized acrylic resin derivative, and preparation method and application thereof 齐河力厚化工有限公司 2022-11-08 CN disclosed
CN-114656845-A Super-weather-resistant nano waterproof coating formula 浙江正恒纳米科技股份有限公司 2022-06-24 CN disclosed
CN-111876019-B Water-based gloss oil and preparation process thereof 北京金印联国际供应链管理有限公司 2022-06-24 CN disclosed
CN-111876019-A Water-based gloss oil and preparation process thereof 北京金印联国际供应链管理有限公司 2020-11-03 CN disclosed
US-6235800-B1 Heat-expandable microcapsules and method of utilizing the same MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2001-05-22 US disclosed
EP-1067151-A1 HEAT-EXPANDABLE MICROCAPSULES AND METHOD OF UTILIZING THE SAME MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 2001-01-10 EP disclosed
US-6110959-A A RETINOIC ACID RECEPTOR AGONIST EISAI CO., LTD. (JP) 2000-08-29 US disclosed
EP-0572233-B2 Production of thermoexpandable microcapsules MATSUMOTO YUSHI SEIYAKU KK (JP) 2000-03-08 EP disclosed
EP-0950923-A1 PHOTOSENSITIVE RESIN COMPOSITION AND FLEXOGRAPHIC RESIN PLATE TOKYO OHKA KOGYO CO., LTD. (JP) 1999-10-20 EP disclosed
US-5861214-A SUSPENSION POLYMERIZING ADDITION POLYMERIZABLE UNSATURATED MONOMERS IN WATER IN PRESENCE OF ATLEAST TWO VOLATILE EXPANSION AGENTS HAVING DIFFERENT BOILING POINTS LOWER THAN SOFTENING POINT OF THERMOPLASTIC RESIN SHELL; ENCAPSULATION MATSUMOTO YUSHI-SEIYAKU CO., LTD (JP) 1999-01-19 US disclosed
EP-0572233-A1 Thermoexpandable microcapsule and production MATSUMOTO YUSHI-SEIYAKU CO., LTD. (JP) 1993-12-01 EP disclosed
JP-S6047007-A SUSPENSION POLYMERIZATION OF VENYL CHLORIDE MONOMER SHIN ETSU CHEM CO LTD 1985-03-14 JP 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 (1 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-20060135761-A1 4-halo-2-oxyimino-3-oxo butyric acid-N,N-dimethyl formiminium chloride chlorosulfate; cephalosporins that may be prepared from the intermediate include cefdinir, cefditoren pivoxil, cefepime, cefetamet pivoxil, cefixime, cefmenoxime, cefodizime, cefoselis, cefotaxime, cefpirome, cefpodoxime proxetil, etc CYP2F1, CYP2W1, CYP4F11 TSHR 2523/4885HCAR2 1004/4885CA12 419/4885

“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.