SCHEMBL1704734

SCHEMBL1704734

C=CCC(=O)[C@H](O)[C@@H](O)[C@@H](O)[C@H](O)CO

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.52
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
USP2 O75604 1/20 0.39
SLCO1B1 Q9Y6L6 1/20 0.39
KDM4E B2RXH2 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL27438858 1.00 PDE4A (0.52) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL1062215 1.00 PDE4A (0.52) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL8658675 0.98 PDE4A (0.50) PDE4ALMNAL3MBTL1TDP1USP2
Bicarbonate SCHEMBL30050792 0.96 PDE4A (0.53) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL28292381 0.94 PDE4A (0.43) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL858818 0.94 PDE4A (0.43) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL18825591 0.94 PDE4A (0.43) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL1843798 0.94 PDE4A (0.43) PDE4ALMNAL3MBTL1TDP1USP2
Acrylamide SCHEMBL6682076 0.91 PDE4A (0.44) PDE4ALMNAL3MBTL1TDP1USP2
SCHEMBL28096121 0.83 PDE4A (0.38) PDE4ALMNAUSP2SLCO1B1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552183-B2 Process for the covalent coupling of two molecules by means of a diels-alder reaction with inverse electron requirement DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2013-10-08 US claimed
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2010-01-21 US claimed
EP-2044035-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum, Stiftung des öffentlichen Rechts (DE) 2009-04-08 EP claimed
WO-2007144200-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-21 WO claimed
EP-1867638-A1 Procedure for the Conection of two Molecules via Diels-Alder Reactions with Inverse Electron Demand Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) 2007-12-19 EP claimed
CN-115043890-B Synthesis method of allyl glucoside 河北科技大学 2023-08-08 CN disclosed
CN-106659915-B Skin care compositions 博姿有限公司 2021-05-07 CN disclosed
CN-106456527-A Water-in-oil emulsion for skin care 博姿有限公司 2017-02-22 CN disclosed
US-8993537-B2 Forming porous scaffold from cellulose derivatives AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2015-03-31 US disclosed
US-20130274440-A1 DIMEDON DERIVATIVE AND A METHOD FOR THE PURIFICATION OF PNA AND PEPTIDE OLIGOMERS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2013-10-17 US disclosed
US-8552183-B2 Process for the covalent coupling of two molecules by means of a diels-alder reaction with inverse electron requirement DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) 2013-10-08 US disclosed
US-20130005945-A1 FORMING POROUS SCAFFOLD FROM CELLULOSE DERIVATIVES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH 2013-01-03 US disclosed
US-6235720-B1 DRUG; MICROBIOCIDE, VIRICIDE, BACTERICIDE, ANTIPROTOZOA AGENT GELTEX PHARMACEUTICALS, INC. 2001-05-22 US disclosed
WO-2000078844-A1 MULTIFUNCTIONAL NONIONIC SILOXANE COPOLYMER FOR MODIFICATION OF SYNTHETIC MATERIALS EURO MANAGEMENT & TRUST COMPANY ESTABLISHMENT (US) 2000-12-28 WO disclosed
US-5939537-A Acid-functionalized saccharide monomers GELTEX PHARMACEUTICALS INC. (US) 1999-08-17 US disclosed
EP-0929562-A1 ACID-FUNCTIONALIZED SACCHARIDES AS POLYVALENT ANTI-INFECTIVES GELTEX PHARMACEUTICALS, INC. (US) 1999-07-21 EP disclosed
US-5821312-A Acid-functionalized saccharides as polyvalent anti-infectives GELTEX PHARMACEUTICALS, INC. (US) 1998-10-13 US disclosed
WO-1998012203-A1 ACID-FUNCTIONALIZED SACCHARIDES AS POLYVALENT ANTI-INFECTIVES GELTEX PHARMACEUTICALS, INC. (US) 1998-03-26 WO disclosed
US-5700458-A Acid-functionalized saccharides as polyvalent anti-infectives GELTEX PHARMACEUTICALS INC. (US) 1997-12-23 US disclosed
EP-0080855-A2 Compounds and compositions for oil recovery The British Petroleum Company p.l.c. (GB) 1983-06-08 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 (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-20130274440-A1 DIMEDON DERIVATIVE AND A METHOD FOR THE PURIFICATION OF PNA AND PEPTIDE OLIGOMERS IAPP, NPPA, ANXA6 PDE4A 2665/4885LMNA 528/4885L3MBTL1 3506/4885
US-20100016545-A1 PROCESS FOR THE COVALENT COUPLING OF TWO MOLECULES BY MEANS OF A DIELS-ALDER REACTION WITH INVERSE ELECTRON REQUIREMENT CX3CR1, NR3C2, NR4A2 PDE4A 4204/4885LMNA 4669/4885L3MBTL1 4678/4885

“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.