SCHEMBL78636

SCHEMBL78636

CC(=O)OC[C@H]1OC=C[C@@H](OC(C)=O)[C@H]1OC(C)=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.47
CYP2D6 P10635 3/20 0.47
THRB P10828 2/20 0.47
MAPT P10636 6/20 0.46
CYP3A4 P08684 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CYP2C19 P33261 2/20 0.46
CA12 O43570 7/20 0.45
CA1 P00915 7/20 0.45
CA2 P00918 7/20 0.45
CA9 Q16790 7/20 0.45
MAPK1 P28482 1/20 0.43
NR3C1 P04150 1/20 0.43
FYN P06241 1/20 0.43
ADRA2A P08913 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADRA2B P18089 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43

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
SCHEMBL13427968 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL13402445 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL25985483 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL12083311 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL15494654 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL10148737 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL12968777 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL62522 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL8602259 1.00 HSD17B10 (0.47) HSD17B10CYP2D6THRBMAPTCYP3A4
SCHEMBL7150795 0.92 HSD17B10 (0.46) HSD17B10CYP2D6THRBMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11191273-B2 Methods of making pyranopyrans such as pyranopyran nitrile and methods of using pyranopyrans such as pyranopyran nitrile THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2021-12-07 US claimed
EP-2831253-B1 ENZYMES USEFUL FOR PERACID PRODUCTION DUPONT US HOLDING LLC (US) 2021-11-24 EP claimed
CN-104988187-B Production of peracids using enzymes having perhydrolytic activity 纳幕尔杜邦公司 2021-02-05 CN claimed
US-8962294-B2 Perhydrolase variant providing improved specific activity E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-02-24 US claimed
US-8956843-B2 Perhydrolase variant providing improved specific activity E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-02-17 US claimed
EP-2831253-A1 ENZYMES USEFUL FOR PERACID PRODUCTION E. I. Du Pont de Nemours and Company (US) 2015-02-04 EP claimed
EP-2831251-A1 ENZYMES USEFUL FOR PERACID PRODUCTION E. I. Du Pont de Nemours and Company (US) 2015-02-04 EP claimed
EP-2831226-A1 ENZYMES USEFUL FOR PERACID PRODUCTION E. I. Du Pont de Nemours and Company (US) 2015-02-04 EP claimed
EP-2831252-A1 ENZYMES USEFUL FOR PERACID PRODUCTION E. I. Du Pont de Nemours and Company (US) 2015-02-04 EP claimed
EP-2831250-A1 ENZYMES USEFUL FOR PERACID PRODUCTION E. I. Du Pont de Nemours and Company (US) 2015-02-04 EP claimed
US-20080176783-A1 Production of Peracids Using An Enzyme Having Perhydrolysis Activity DUPONT US HOLDING, LLC 2008-07-24 US claimed
WO-2008073139-A1 PRODUCTION OF PERACIDS USING AN ENZYME HAVING PERHYDROLYSIS ACTIVITY E. I. DU PONT DE NEMOURS AND COMPANY (US) 2008-06-19 WO claimed
US-6673907-B2 NOVEL SUBSTITUTED TETRACYCLINES WITH MODIFIED ALKYL-AROMATIC RING SUBSTITUTIONS ON THE C-3' AND/OR C-4' OF THE SUGAR MOIETY; CYTOTOXICITY; ANTITUMOR, -CARCINOGENIC AGENTS; MULTIDRUG RESISTANCE HOUSTON PHARMACEUTICALS, INC. 2004-01-06 US claimed
US-20020137694-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-26 US claimed
EP-1165578-A4 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS PRIEBE WALDEMAR (US) 2002-08-28 EP claimed
EP-1165578-A2 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS Priebe, Waldemar (US) 2002-01-02 EP claimed
WO-2000056267-A2 METHODS AND COMPOSITIONS FOR THE MANUFACTURE OF C-3' AND C-4' ANTHRACYCLINE ANTIBIOTICS PRIEBE WALDEMAR (US) 2000-09-28 WO claimed
US-5128463-A Process for the preparation of 2-deoxy sugars E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-07-07 US claimed
US-4362720-A Synthesis of 2-amino-2-deoxyglycoses and 2-amino-2-deoxyglycosides from glycals CHEMBIOMED LTD. (CA) 1982-12-07 US claimed
US-4195174-A Synthesis of 2-amino-2-deoxyglycoses and 2-amino-2-deoxyglycosides from glycals CHEMBIOMED LTD. (CA) 1980-03-25 US claimed

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-11191273-B2 Methods of making pyranopyrans such as pyranopyran nitrile and methods of using pyranopyrans such as pyranopyran nitrile CBR1, NOX1, NOX3 HSD17B10 1643/4885CYP2D6 17/4885THRB 2193/4885
US-20020137694-A1 Methods and compositions for the manufacture of C-3' and C-4' anthracycline antibiotics HCCS, GALE, BCL3 HSD17B10 2268/4885CYP2D6 164/4885THRB 4285/4885

“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.