SCHEMBL47088

SCHEMBL47088

CC(C)(C)OC(=O)CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.41
HDAC6 Q9UBN7 3/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA2 P00918 2/20 0.37
DGAT1 O75907 1/20 0.36
STING1 Q86WV6 1/20 0.36
CYP2D6 P10635 1/20 0.35
EPHX2 P34913 1/20 0.35
CA1 P00915 2/20 0.33
CA7 P43166 2/20 0.33
TSHR P16473 1/20 0.33
VCAM1 P19320 1/20 0.33
NR1H2 P55055 1/20 0.32
CTSK P43235 2/20 0.32
MLYCD O95822 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
SCHEMBL644646 0.86 TSHR (0.45) TDP1HDAC6HDAC1HDAC2HDAC3
SCHEMBL473225 0.85 TDP1 (0.47) TDP1HDAC6HDAC1HDAC2HDAC3
Allylamine SCHEMBL15668051 0.84 HDAC3 (0.34) TDP1HDAC6HDAC1HDAC2HDAC3
SCHEMBL934152 0.83 TDP1 (0.50) TDP1HDAC6HDAC1HDAC2HDAC3
Hydrochloric Acid SCHEMBL28201423 0.83 TDP1 (0.46) TDP1HDAC6HDAC1HDAC2HDAC3
SCHEMBL25168218 0.81 TDP1 (0.53) TDP1HDAC6HDAC1HDAC2HDAC8
SCHEMBL8033386 0.81 TDP1 (0.53) TDP1HDAC6HDAC1HDAC2HDAC8
SCHEMBL8507410 0.81 TDP1 (0.53) TDP1HDAC6HDAC1HDAC2HDAC8
SCHEMBL22029385 0.81 TDP1 (0.53) TDP1HDAC6HDAC1HDAC2HDAC8
SCHEMBL3988979 0.81 TDP1 (0.53) TDP1HDAC6HDAC1HDAC2HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110498915-B Simple and controllable synthesis method of alpha-carboxyl-omega-hydroxyl polyether 华南理工大学 2021-09-21 CN claimed
WO-2020002136-A1 CATALYST BASED ON A BETA-SUBSTITUTED ESTER AND USE THEREOF IN A HYDROTREATMENT AND/OR HYDROCRACKING PROCESS IFP Energies Nouvelles (FR) 2020-01-02 WO claimed
EP-2403920-A2 A METHOD FOR THE MANUFACTURE OF NANOPARTICLE COMPLEXES AND TRIBLOCK POLYMER LIGANDS AND PRODUCTS THEREOF Centrum für Angewandte Nanotechnologie (CAN) GmbH (DE) 2012-01-11 EP claimed
WO-2010100118-A2 A METHOD FOR THE MANUFACTURE OF NANOPARTICLE COMPLEXES AND TRIBLOCK POLYMER LIGANDS AND PRODUCTS THEREOF CENTRUM FÜR ANGEWANDTE NANOTECHNOLOGIE (CAN) GMBH (DE) 2010-09-10 WO claimed
US-7521396-B2 Substituted (thioxo)carbonylaminophenyluracils BAYER CROPSCIENCE AG (DE) 2009-04-21 US claimed
CN-101384601-A Novel 6-amino-morphinan derivatives, method of manufacturing them and their application as analgesics ALCASYNN PHARMACEUTICALS GMBH (AT) 2009-03-11 CN claimed
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles BAYER CROPSCIENCE AG (DE) 2006-04-27 US claimed
US-6956037-B2 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB (SE) 2005-10-18 US claimed
EP-1503994-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES Bayer CropScience AG (DE) 2005-02-09 EP claimed
EP-1077931-B1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 2004-11-17 EP claimed
US-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines ASTRAZENECA AB 2003-11-13 US claimed
WO-2003093244-A1 SUBSTITUTED (THIOXO)CARBONYLAMINO PHENYL URACILES BAYER CROPSCIENCE AG (DE) 2003-11-13 WO claimed
US-6579872-B1 Such as TNF, in particular of TNF alpha, and various interleukins, in particular IL-1; N-(5-(4-(3-hydroxypropoxy)benzamido)-2-methylphenyl)-3,4-dimethoxybenzamide ASTRAZENECA AB (SE) 2003-06-17 US claimed
EP-1077931-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES AstraZeneca AB (SE) 2001-02-28 EP claimed
WO-1999059959-A1 BENZAMIDE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY CYTOKINES ASTRAZENECA AB (SE) 1999-11-25 WO claimed
CN-122070276-A Prodrugs of xanomeline, prodrugs of trospium chloride and methods of using the same 人类生物科学股份有限公司 2026-05-19 CN disclosed
EP-3972649-B1 MCL-1 INHIBITOR ANTIBODY-DRUG CONJUGATES AND METHODS OF USE NOVARTIS AG (CH) 2026-05-13 EP disclosed
WO-1987001707-A1 ANTIHYPERTENSIVE AGENTS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THE PREPARATION OF THE AGENTS AND COMPOSITIONS SCHERING CORPORATION (US) 1987-03-26 WO disclosed
US-4472300-A ANTIMICROBIAL FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-09-18 US disclosed
US-4207234-A 4-Unsubstituted azetidinone derivatives and process for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1980-06-10 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-20030212068-A1 Benzamide derivatives for the treatment of diseases mediated by cytokines IL2, IL6, IL6ST TDP1 3681/4885HDAC6 98/4885HDAC1 133/4885
US-20060089262-A1 Substituted (thioxo)carbonylamino phenyl uraciles NQO2, TYMP, DPYD TDP1 36/4885HDAC6 2829/4885HDAC1 3286/4885

“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.