SCHEMBL292372

SCHEMBL292372

CC(=O)OCCC(C)(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
CHRM1 P11229 3/20 0.41
CHRM5 P08912 2/20 0.41
CHRM3 P20309 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TSHR P16473 2/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
HTR1A P08908 1/20 0.41
CHRNB2 P17787 1/20 0.41
TBXA2R P21731 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA7 P36544 1/20 0.41
CHRNA4 P43681 1/20 0.41
CHRNA10 Q9GZZ6 1/20 0.41
CHRNA9 Q9UGM1 1/20 0.41
ACLY P53396 1/20 0.41
GAA P10253 2/20 0.40

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
SCHEMBL9835205 0.87 ALDH1A1 (0.50) ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2
SCHEMBL9826471 0.85 ACLY (0.50) ALDH1A1CHRM1SMN1; SMN2TSHRACLY
SCHEMBL1342767 0.83 ACLY (0.38) CHRM1SMN1; SMN2TSHRACLYGAA
SCHEMBL25321844 0.80 ACLY (0.39) ALDH1A1CHRM1SMN1; SMN2TSHRACLY
SCHEMBL5796159 0.80 ALDH1A1 (0.41) ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2
SCHEMBL2867405 0.79 ALDH1A1 (0.44) ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2
SCHEMBL4229823 0.78 ALDH1A1 (0.48) ALDH1A1CHRM1CHRM5CHRM3SMN1; SMN2
SCHEMBL5526119 0.78 ACLY (0.45) ALDH1A1CHRM1SMN1; SMN2TSHRACLY
Ammonia Solution, Strong SCHEMBL19133680 0.78 THRB (0.47) ALDH1A1CHRM1SMN1; SMN2TSHRACLY
Hydrochloric Acid SCHEMBL864764 0.76 ACLY (0.43) ALDH1A1CHRM1SMN1; SMN2TSHRACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2727915-B1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof CONCERT PHARMACEUTICALS INC (US) 2016-04-13 EP claimed
EP-2727915-A1 Synthesis of deuterated catechols and benzo[d][1,3]dioxoles and derivatives thereof Concert Pharmaceuticals Inc. (US) 2014-05-07 EP claimed
WO-2012138698-A1 SYNTHESIS OF BETA-MANNURONIC ACID OLIGOSACCHARIDES ANCORA PHARMACEUTICALS INC. (US) 2012-10-11 WO claimed
EP-4604951-A1 1-(SULFONYL)-N-PHENYLPYRROLIDINE-2-CARBOXAMIDES DERIVATIVES AND USE THEREOF AMIRA THERAPEUTICS, S.L. (ES) 2025-08-27 EP disclosed
EP-4419513-B1 ANTITUMORAL COMPOUNDS PHARMA MAR SA (ES) 2025-08-27 EP disclosed
US-12384800-B2 Antitumoral compounds PHARMA MAR, S.A. (ES) 2025-08-12 US disclosed
US-20250243174-A1 ANTITUMORAL COMPOUNDS PHARMA MAR, S.A. (ES) 2025-07-31 US disclosed
WO-2025077996-A1 SYNTHETIC PROCESS FOR THE MANUFACTURE OF ECTEINASCIDIN COMPOUNDS PHARMA MAR, S.A. (ES) 2025-04-17 WO disclosed
WO-2025050647-A1 IONIZABLE CATIONIC LIPID COMPOUNDS AS WELL AS PREPARATION METHOD THEREFOR AND USE THEREOF 晟迪生物医药(苏州)有限公司 2025-03-13 WO disclosed
US-12215100-B2 Anticancer compounds PHARMA MAR, S.A. (ES) 2025-02-04 US disclosed
CN-110621678-B Antitumor compounds 法马马有限公司 2024-09-20 CN disclosed
EP-2032551-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2009-03-11 EP disclosed
WO-2009017671-A1 SYNTHESIS OF INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-02-05 WO disclosed
WO-2007144423-A1 ANTITUMORAL DIHYDROPYRAN-2-ONE COMPOUNDS PHARMA MAR, S.A. (ES) 2007-12-21 WO disclosed
WO-2006042200-A2 METHOD FOR SYNTHESIS OF BETA-GLUCANS EAST TENNESSEE STATE UNIVERSITY RESEARCH FOUNDATION (US) 2006-04-20 WO disclosed
EP-0211416-B1 NOVEL HMG-COA REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1991-10-16 EP disclosed
US-4851436-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS MERCK & CO., INC. (US) 1989-07-25 US disclosed
US-4668699-A 6-(NAPHTHYLETHYL)TETRAHYDROPYRAN-2-ONES; ANTILIPEMIC, ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-05-26 US disclosed
US-4665091-A 3-HYDROXY-3-METHYLGLUTARYL-COENZYME A, ANTICHOLESTEROL MERCK & CO., INC. (US) 1987-05-12 US disclosed
EP-0211416-A2 Novel HMG-CoA reductase inhibitors MERCK & CO. INC. (US) 1987-02-25 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-12384800-B2 Antitumoral compounds TP53, TOP1, MCL1 ALDH1A1 144/4885CHRM1 4848/4885CHRM5 4829/4885
US-20250243174-A1 ANTITUMORAL COMPOUNDS MCL1, XPOT, GZMB ALDH1A1 318/4885CHRM1 4676/4885CHRM5 4809/4885
US-12215100-B2 Anticancer compounds TP53, MCL1, MYC ALDH1A1 795/4885CHRM1 4854/4885CHRM5 4881/4885

“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.