SCHEMBL9756912

SCHEMBL9756912

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 2/20 0.48
HSD17B10 Q99714 1/20 0.48
ALOX15 P16050 1/20 0.42
TSHR P16473 5/20 0.41
CHRM1 P11229 3/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CHRM5 P08912 2/20 0.39
CHRM3 P20309 2/20 0.39
CHRM2 P08172 2/20 0.39
CHRM4 P08173 2/20 0.39
TBXA2R P21731 2/20 0.39
PGR P06401 1/20 0.39
HTR1A P08908 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39

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
SCHEMBL4567267 0.90 TDP1 (0.42) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL22689608 0.89 TDP1 (0.45) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL17826864 0.88 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL3401939 0.88 TDP1 (0.41) TDP1ALDH1A1LMNAHSD17B10ALOX15
SCHEMBL12239784 0.87
SCHEMBL2697467 0.87
SCHEMBL9756898 0.87
SCHEMBL17511777 0.87
SCHEMBL309720 0.87
SCHEMBL709298 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102408334-A Method for synthesizing p-fluorophenyl acetate through ester exchange FUJIAN INST RES STR MATTER CAS 2012-04-11 CN claimed
CN-121082190-A System and method for preparing 2-methyl-1, 3-propylene glycol diacetate 上海交通大学 2025-12-09 CN disclosed
CN-121082190-A System and method for preparing 2-methyl-1, 3-propylene glycol diacetate 上海交通大学 2025-12-09 CN disclosed
EP-3784762-B1 ESTERS AND ETHERS OF 3-METHYL-PENTANE-DIOL AND UNSATURATED DERIVATIVES THEREOF AND THEIR USE AS AROMA CHEMICAL BASF SE (DE) 2025-09-03 EP disclosed
CN-119630735-A Resin composition, molded article, multilayer structure, and method for producing resin composition 三菱化学株式会社 2025-03-14 CN disclosed
US-20230210863-A1 ORALLY ADMINISTERED COMBINATIONS OF BETA LACTAM ANTIBIOTICS AND AVIBACTAM DERIVATIVES FOR TREATING BACTERIAL INFECTIONS ARIXA PHARMACEUTICALS, INC. (US) 2023-07-06 US disclosed
US-11634449-B2 Macrolides and methods of their preparation and use PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-25 US disclosed
US-20230109357-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2023-04-06 US disclosed
EP-4095146-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE President And Fellows Of Harvard College (US) 2022-11-30 EP disclosed
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2022-10-20 US disclosed
US-4486218-A 1-Vinyltriazole compounds and plant growth and fungicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1984-12-04 US disclosed
EP-0057357-B1 PLANT GROWTH STUNTING AGENT BAYER AG (DE) 1984-07-25 EP disclosed
US-4452625-A 1,2,4-TETRAZOLE COMPOUND WITH A CYCLOPROPANE CARBOXY COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 1984-06-05 US disclosed
EP-0096787-A1 Grass growth regulators BAYER AG (DE) 1983-12-28 EP disclosed
EP-0015387-B1 1-VINYLTRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS GROWTH REGULATING AGENTS AND FUNGICIDES BAYER AG (DE) 1983-01-12 EP disclosed
EP-0016323-B1 1-ALLYLTRIAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS PLANT PROTECTING AGENTS BAYER AG (DE) 1982-09-29 EP disclosed
EP-0057357-A2 Plant growth stunting agent BAYER AG (DE) 1982-08-11 EP disclosed
US-4315764-A FUNGICIDES, PLANT GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
EP-0016323-A1 1-Allyltriazole derivatives, process for their preparation and their use as plant protecting agents BAYER AG (DE) 1980-10-01 EP disclosed
EP-0015387-A2 1-Vinyltriazole derivatives, process for their preparation and their use as growth regulating agents and fungicides BAYER AG (DE) 1980-09-17 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 (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-20230210863-A1 ORALLY ADMINISTERED COMBINATIONS OF BETA LACTAM ANTIBIOTICS AND AVIBACTAM DERIVATIVES FOR TREATING BACTERIAL INFECTIONS MGAM, SI, BPGM TDP1 3604/4885ALDH1A1 2101/4885LMNA 2353/4885
US-20220332747-A1 MACROLIDES AND METHODS OF THEIR PREPARATION AND USE CYP11B2, ERG28, DHCR7 TDP1 4466/4885ALDH1A1 1071/4885LMNA 304/4885
US-11634449-B2 Macrolides and methods of their preparation and use CYP11B2, ERG28, DHCR7 TDP1 4466/4885ALDH1A1 1071/4885LMNA 304/4885
US-20230109357-A1 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE CYP51A1, KHK, HSD17B7 TDP1 4668/4885ALDH1A1 1572/4885LMNA 2105/4885

“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.