SCHEMBL15344

SCHEMBL15344

CCOC(=O)CC(=O)CC(C)C

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.58
MGAM O43451 1/20 0.58
SI P14410 1/20 0.58
MGAM2 Q2M2H8 1/20 0.58
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
LMNA P02545 2/20 0.39
MMP8 P22894 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CYP1A2 P05177 1/20 0.38
HSD17B10 Q99714 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 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
Methyl Isobutyl Ketone SCHEMBL2915309 0.88 ALDH1A1 (0.47) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL31260805 0.85 GAA (0.56) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4204945 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL28914066 0.83 FAAH (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL4204949 0.83 GAA (0.54) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL5567906 0.83 MGAM (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12787269 0.82 GAA (0.52) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27828 0.81
SCHEMBL27845082 0.81 MGAM (0.55) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL155563 0.81 GAA (0.78) 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 143 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107459535-A Polysubstituted quinoline coordinated iridium hybrid compound and preparation method and application thereof 南京工业大学 2017-12-12 CN claimed
EP-3558969-B1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2024-09-18 EP disclosed
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors JANSSEN PHARMACEUTICA NV (BE) 2024-09-03 US disclosed
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VECTIVBIO COMET AG (CH) 2024-07-16 US disclosed
WO-2024119026-A1 BORON-CONTAINING CYCLIC EMISSIVE COMPOUNDS AND COLOR CONVERSION FILM CONTAINING THE SAME NITTO DENKO CORPORATION (JP) 2024-06-06 WO disclosed
US-20230127898-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS VenatoRx Pharmaceuticals, Inc. 2023-04-27 US disclosed
CN-110234623-B Solution containing dialkylzinc and dialkylzinc partial hydrolysate, and method for producing zinc oxide thin film using same 东曹精细化工株式会社 2023-04-18 CN disclosed
US-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS JANSSEN BIOTECH, INC. 2022-10-06 US disclosed
US-11453786-B2 Dialkylzinc- and dialkylzinc partial hydrolysate-containing solution, and method for producing zinc oxide thin film using solution TOSOH FINECHEM CORPORATION (JP) 2022-09-27 US disclosed
EP-3578540-B1 DIALKYLZINC- AND DIALKYLZINC PARTIAL HYDROLYSATE-CONTAINING SOLUTION, AND METHOD FOR PRODUCING ZINC OXIDE THIN FILM USING SOLUTION TOSOH FINECHEM CORP (JP) 2022-05-04 EP disclosed
CN-1304399-A Process for preparation of amides IHARA CHEMICAL IND CO (JP) 2001-07-18 CN disclosed
EP-0937703-A1 METHOD FOR PURIFYING PYRUVIC ACID COMPOUNDS SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1999-08-25 EP disclosed
EP-0408674-A1 ALTERNATIVE ENERGY SUBSTRATE Kabi Pharmacia AB (SE) 1991-01-23 EP disclosed
EP-0247320-B1 5-ARYLALKYL-4-ALKOXY-2(5H)-FURANONES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION AS WELL AS THEIR APPLICATION AS THERAPEUTICALLY ACTIVE INGREDIENTS SCHWABE WILLMAR GMBH & CO (DE) 1990-12-27 EP disclosed
US-4960779-A Pyrrole derivatives, and pharmaceutical compositions which contain them and pharmacological methods of use RHONE-POULENC SANTE (FR) 1990-10-02 US disclosed
EP-0366632-A1 Alternative energy substrates KABIVITRUM AB (SE) 1990-05-02 EP disclosed
WO-1990002726-A1 ALTERNATIVE ENERGY SUBSTRATE KABIVITRUM AB (SE) 1990-03-22 WO disclosed
US-4855320-A ANTICONVULSANTS, ANTIEPILEPTICS DR. WILLMAR SCHWABE GMBH & COMPANY (DE) 1989-08-08 US disclosed
EP-0247320-A2 5-Arylalkyl-4-alkoxy-2(5H)-furanones, intermediates and process for their preparation as well as their application as therapeutically active ingredients Dr. Willmar Schwabe GmbH & Co. (DE) 1987-12-02 EP disclosed
US-4545934-A ALKYLATION OF THE ESTER AND AMIDE DERIVATIVES LONZA LTD. (CH) 1985-10-08 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 (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-20220315557-A1 PYRAZOLE DERIVATIVES AS MALT1 INHIBITORS MALT1, PPP3R1, SQSTM1 GAA 254/4885MGAM 26/4885SI 1574/4885
US-20230127898-A1 HEPATITIS B CAPSID ASSEMBLY MODULATORS HAVCR2, COPB1, COPB2 GAA 711/4885MGAM 4535/4885SI 4152/4885
US-12037354-B2 Cyclic pantetheine derivatives and uses thereof VNN1, VKORC1, PANK3 GAA 619/4885MGAM 1946/4885SI 790/4885
US-12077521-B2 Pyrazole derivatives as MALT1 inhibitors MALT1, PPP3R1, SQSTM1 GAA 254/4885MGAM 26/4885SI 1574/4885

“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.