SCHEMBL844028

SCHEMBL844028

CCOC(OCC)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 2/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 1/20 0.42
TDP1 Q9NUW8 1/20 0.37
ALOX15 P16050 1/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
SOAT1 P35610 1/20 0.35
TSHR P16473 2/20 0.35
MAPT P10636 2/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
GLO1 Q04760 1/20 0.32
TRPA1 O75762 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL11474603 0.88 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10THRBTDP1
SCHEMBL11249852 0.86
SCHEMBL11617859 0.80 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10TDP1TSHR
SCHEMBL6539584 0.80 ALDH1A1 (0.30) ALDH1A1LMNAHSD17B10
SCHEMBL31135467 0.79 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10THRBTDP1
SCHEMBL7058655 0.78 LMNA (0.39) ALDH1A1LMNAHSD17B10THRBTDP1
SCHEMBL16843395 0.78 THRB (0.44) ALDH1A1LMNAHSD17B10THRBTDP1
SCHEMBL12955806 0.77
SCHEMBL12047635 0.77
SCHEMBL12955873 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785040-B Chiral synthesis method of active natural products curcumene and iso Ji Mafu lactone 中北大学 2024-07-02 CN claimed
CN-115785040-A Chiral synthesis method of active natural products curzerene and isogermacrofuryl lactone 中北大学 2023-03-14 CN claimed
EP-3830088-A1 SYNTHESIS OF COELENTERAZINE International Paper Company (US) 2021-06-09 EP claimed
US-20240239803-A1 SYNTHESIS OF COELENTERAZINE INTERNATIONAL PAPER COMPANY 2024-07-18 US disclosed
CN-115785040-B Chiral synthesis method of active natural products curcumene and iso Ji Mafu lactone 中北大学 2024-07-02 CN disclosed
CN-114940644-B Crystallization method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2024-04-09 CN disclosed
US-20240081675-A1 BREATH BIOMARKERS OF SARS-COV-2 IN CHILDREN AND METHODS OF USE THEREOF FOR THE DIAGNOSIS AND TREATMENT OF COVID-19 THE CHILDREN'S HOSPITAL OF PHILADELPHIA (US) 2024-03-14 US disclosed
US-11903380-B2 Aqueous composition based on polyoxymethylene dialkyl ethers (POM) and their use for the preservation and/or embalming of the human or animal body ARKEMA FRANCE (FR) 2024-02-20 US disclosed
CN-115785040-A Chiral synthesis method of active natural products curzerene and isogermacrofuryl lactone 中北大学 2023-03-14 CN disclosed
CN-112638992-B Dual curable organopolysiloxane composition 美国陶氏有机硅公司 2023-02-10 CN disclosed
CN-114940644-A Crystallization method of 2, 7-dimethyl-2, 4, 6-octatriene-1, 8-dialdehyde 万华化学集团股份有限公司 2022-08-26 CN disclosed
EP-1059283-B1 Process for preparing neuraminidase inhibitor ro-64-0796 HOFFMANN LA ROCHE (CH) 2003-05-28 EP disclosed
US-6437171-B1 AZIDE-FREE; PREPARING 2-AMINOALCOHOLS FROM 1,2-EPOXIDES AND AN AMINE; PROTECTING THE FREE AMINO GROUP, HYDROXY LEAVING GROUP, DEPROTECTING, REACTING WITH AN AMINE, ACYLATING, DEPROTECTING HOFFMAN-LA ROCHE INC. 2002-08-20 US disclosed
US-20020095040-A1 Process for preparing 1,2-diamino compounds KARPF MARTIN (CH) 2002-07-18 US disclosed
EP-1187798-A1 PRODUCTION OF OPTICALLY ACTIVE $g(a)-HYDROXYACETALS Solvias AG (CH) 2002-03-20 EP disclosed
WO-2001000545-A1 PRODUCTION OF OPTICALLY ACTIVE α-HYDROXYACETALS SOLVIAS AG (CH) 2001-01-04 WO disclosed
EP-1059283-A1 Process for preparing neuraminidase inhibitor ro-64-0796 F. HOFFMANN-LA ROCHE AG (CH) 2000-12-13 EP disclosed
EP-0122479-A1 3-Chloro-1,1-dialkoxy-acetones and process for their preparation Wacker-Chemie GmbH (DE) 1984-10-24 EP disclosed
US-4107159-A Acetal hydrazones of 2-hydrazino-3H-1,4-benzodiazepine THE UPJOHN COMPANY (US) 1978-08-15 US disclosed
US-4086230-A 1,5-Dihydro-7-aryl-as-triazine[4,3,-α][1,4]benzodiazepin-1-ols THE UPJOHN COMPANY (US) 1978-04-25 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-20020095040-A1 Process for preparing 1,2-diamino compounds AOC1, UGT1A1, THPO ALDH1A1 48/4885LMNA 2657/4885HSD17B10 2158/4885
US-20240239803-A1 SYNTHESIS OF COELENTERAZINE ACHE, UROD, DDT ALDH1A1 313/4885LMNA 4726/4885HSD17B10 1493/4885

“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.