SCHEMBL516538

SCHEMBL516538

CC(C)([O])COC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL823099 0.72 CYP2C19 (0.38) MAPK1ALDH1A1
SCHEMBL754497 0.72 MAPK1 (0.36) MAPK1ALDH1A1
SCHEMBL12433234 0.72 MAPK1 (0.36) MAPK1ALDH1A1
SCHEMBL6176534 0.70 MAPK1 (0.40) MAPK1ALDH1A1
SCHEMBL7298010 0.69 ALDH1A1 (0.32) ALDH1A1
SCHEMBL38182 0.69
SCHEMBL31207702 0.67 TDP1 (0.35)
SCHEMBL20725835 0.67
SCHEMBL25494690 0.67 MAPK1 (0.33) MAPK1ALDH1A1
SCHEMBL19543066 0.67 MAPK1 (0.33) MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3924361-B1 NOVEL TRITERPENE DERIVATIVES AS HIV INHIBITORS HETERO LABS LTD (IN) 2023-09-06 EP claimed
US-9670350-B2 Polymer dispersants BASF SE (DE) 2017-06-06 US disclosed
US-9497970-B2 Pesticide compounds BASF SE (DE) 2016-11-22 US disclosed
US-9404002-B2 Molecular precursor compounds for indium gallium zinc oxide materials TRANSTRON SOLUTIONS LLC (US) 2016-08-02 US disclosed
US-9404009-B2 Polymer dispersants BASF SE (DE) 2016-08-02 US disclosed
US-20160157491-A1 Pesticide Compounds BASF SE (DE) 2016-06-09 US disclosed
US-20160102198-A1 NOVEL POLYMER DISPERSANTS BASF SE (DE) 2016-04-14 US disclosed
US-9174967-B2 Substituted pyrazole-containing compounds and their use as pesticides BASF SE (DE) 2015-11-03 US disclosed
US-9169253-B2 Tricyclic quinoline and quinoxaline derivatives AbbVie Deutschland GmbH & Co. KG (DE) 2015-10-27 US disclosed
US-9161894-B2 Use of N-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-3-amine and related compounds NPHARMAKON, LLC (US) 2015-10-20 US disclosed
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof DERMIRA (CANADA), INC. 2005-12-08 US disclosed
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists SCHERING AKTIENGESELLSCHAFT (DE) 2005-03-24 US disclosed
US-20040171588-A1 Cardioprotective phosphonates and malonates MEDICURE INTERNATIONAL INC. (CA) 2004-09-02 US disclosed
US-6677356-B1 CONCURRENTLY ADMINISTERING PYRIDOXAL-5'-PHOSPHATE, PYRIDOXAMINE, PYRIDOXAL, OR A 3-ACYLATED PYRIDOXAL ANALOGUE WITH ANGIOTENSIN CONVERTING ENZYME INHIBITOR,CALCIUM CHANNEL BLOCKER, ADRENERGIC BLOCKING AGENT, VASODILATOR OR DIURETIC MEDICURE INTERNATIONAL INC. (KY) 2004-01-13 US disclosed
US-6676926-B2 FOR ADMINISTERING TO A HUMAN IN NEED OF SUCH DIAGNOSIS AND MEASURING THE RADIOACTIVITY ARISING FROM THE ADMINISTRATION OF THE COMPOUND TO THE HUMAN EITHER BY USING A GAMMA CAMERA OR BY POSITRON EMISSION TOMOGRAPHY SCHERING AKTIENGESELLSCHAFT (DE) 2004-01-13 US disclosed
EP-0920430-B1 PURINE DERIVATIVES AND THEIR USE AS ANTI-COAGULANTS SCHERING AG (DE) 2003-09-24 EP disclosed
US-20020165218-A1 Materials and methods to potentiate cancer treatment LUITPOLD PHARMACEUTICALS, INC. 2002-11-07 US disclosed
US-20020131932-A1 Radiopharmaceuticals for diagnosing alzheimer's disease SCHERING AG (DE) 2002-09-19 US disclosed
CN-1272841-A Novel lactam metalloprotease inhibitors DU PONT PHARM CO (US) 2000-11-08 CN disclosed
CN-1067241-A The method of terminal olefin oxidation system aldehyde UNION CARBIDE CHEM PLASTIC (US) 1992-12-23 CN 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 (6 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-20160157491-A1 Pesticide Compounds C1R, C1S, CBR3 MAPK1 2362/4885ALDH1A1 2336/4885
US-20050065163-A1 Platelet adenosine diphosphate receptor antagonists ADORA2B, ADORA1, TBXA2R MAPK1 2811/4885ALDH1A1 745/4885
US-20050272709-A1 Immugenic compositions and diagnostic and therapeutic uses thereof MKI67, CDK4, CCNC MAPK1 1293/4885ALDH1A1 3393/4885
US-20020131932-A1 Radiopharmaceuticals for diagnosing alzheimer's disease CCR1, CCR3, CCR2 MAPK1 2953/4885ALDH1A1 852/4885
US-20020165218-A1 Materials and methods to potentiate cancer treatment DCK, CHEK2, CHEK1 MAPK1 1347/4885ALDH1A1 3519/4885
US-20040171588-A1 Cardioprotective phosphonates and malonates PRDX5, FABP3, PRDX6 MAPK1 1542/4885ALDH1A1 1489/4885

“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.