SCHEMBL2048261

SCHEMBL2048261

C=CCC(C)(C)CC(=O)OCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
MGAM O43451 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
ALDH1A1 P00352 3/20 0.39
TRPA1 O75762 1/20 0.39
HSD11B1 P28845 1/20 0.35
CYP1A2 P05177 1/20 0.34
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
LMNA P02545 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ALOX15 P16050 1/20 0.32
SOAT1 P35610 1/20 0.32
NR1I2 O75469 1/20 0.32
PGR P06401 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
PTGS2 P35354 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
SCHEMBL14226494 0.83 GAA (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL9683285 0.82 GAA (0.43) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28867969 0.82 TSHR (0.30) TSHR
SCHEMBL15447195 0.81 CYP1A2 (0.40) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL26711236 0.81 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL7846482 0.81 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL232993 0.81 GAA (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11059357 0.80 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11140647 0.78 GAA (0.39) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL11455507 0.78 ALDH1A1 (0.41) GAAMGAMSIMGAM2ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228680-A1 METHOD FOR PREPARING POLYMER, AND OBTAINED POLYMER CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-07-11 US disclosed
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2024-05-09 US disclosed
EP-4332135-A1 METHOD FOR PREPARING POLYMER, AND OBTAINED POLYMER CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2024-03-06 EP disclosed
EP-4225765-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-08-16 EP disclosed
CN-115246901-B Preparation method of olefin-unsaturated carboxylic ester copolymer and copolymer 中国石油化工股份有限公司 2023-08-15 CN disclosed
CN-116601158-A Modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-15 CN disclosed
CN-115246900-B Polymer preparation method and polymer 中国石油化工股份有限公司 2023-08-15 CN disclosed
CN-115246902-B Method for preparing copolymer, copolymer and application 中国石油化工股份有限公司 2023-08-15 CN disclosed
CN-115260356-B Method for preparing olefin-unsaturated carboxylic ester copolymer, olefin-unsaturated carboxylic ester copolymer and application 中国石油化工股份有限公司 2023-07-21 CN disclosed
CN-116217759-A Coordination precipitation polymerization method for olefin polymerization and obtained polyolefin 中国石油化工股份有限公司 2023-06-06 CN disclosed
CN-116199806-A Coordination precipitation polymerization method for olefin polymerization and obtained polyolefin 中国石油化工股份有限公司 2023-06-02 CN disclosed
WO-2022227933-A1 METHOD FOR PREPARING POLYMER, AND OBTAINED POLYMER 中国石油化工股份有限公司 2022-11-03 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
WO-2022076622-A2 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 WO disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 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 (2 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL GAA 175/4885MGAM 2131/4885SI 895/4885
US-20240150377-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B GAA 1041/4885MGAM 1758/4885SI 2657/4885

“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.