SCHEMBL2825399

SCHEMBL2825399

CCC(C)COC(=O)C(C)O

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
TSHR P16473 4/20 0.35
TP53 P04637 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ELANE P08246 1/20 0.31
SMN1; SMN2 Q16637 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
SCHEMBL16444588 1.00 MAPT (0.47) MAPTTSHRTP53FFAR1KDM4E
SCHEMBL16444587 1.00 MAPT (0.47) MAPTTSHRTP53FFAR1KDM4E
SCHEMBL28148784 0.89 MAPT (0.40) MAPTTSHR
SCHEMBL536924 0.87 TP53 (0.38) MAPTTSHRTP53MEN1ALDH1A1
SCHEMBL12414729 0.83 MAPT (0.48) MAPTTSHRFFAR1KDM4EMEN1
SCHEMBL6060785 0.83 MAPT (0.48) MAPTTSHRFFAR1KDM4EMEN1
SCHEMBL15512210 0.81 KDM4E (0.36) MAPTTSHRTP53KDM4EMEN1
SCHEMBL14270880 0.81 TSHR (0.41) MAPTTSHRTP53ALDH1A1LMNA
SCHEMBL1172359 0.81 MAPT (0.47) MAPTTSHRFFAR1KDM4EMEN1
SCHEMBL8954807 0.81 MAPT (0.47) MAPTTSHRFFAR1KDM4EMEN1

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118510877-A Cleaning composition for pretreatment of metal substrates, method for the production thereof and use thereof 巴斯夫涂料有限公司 2024-08-16 CN disclosed
WO-2023131530-A1 A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF BASF COATINGS GMBH (DE) 2023-07-13 WO disclosed
US-8709978-B2 Herbicide composition having improved effectiveness, method of preparation and use AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2014-04-29 US disclosed
US-20130035234-A1 HERBICIDE COMPOSITION HAVING IMPROVED EFFECTIVENESS, METHOD OF PREPARATION AND USE AGRO INDUSTRIE RECHERCHES ET DEVELOPPEMENTS (A.R.D.) (FR) 2013-02-07 US disclosed
CN-102176821-A Liquid aqueous crop protection formulations BASF SE 2011-09-07 CN disclosed
CN-102176820-A Liquid crop protection formulations containing pyraclostrobin BASF SE 2011-09-07 CN disclosed
EP-1969113-B1 ENVIRONMENTALLY FRIENDLY SOLVENT CONTAINING ISOAMYL LACTATE ARCHER DANIELS MIDLAND CO (US) 2010-10-27 EP disclosed
EP-1969113-A2 ENVIRONMENTALLY FRIENDLY SOLVENT CONTAINING ISOAMYL LACTATE Archer-Daniels-Midland Company (US) 2008-09-17 EP disclosed
WO-2007079465-A2 ENVIRONMENTALLY FRIENDLY SOLVENT CONTAINING ISOAMYL LACTATE ARCHER-DANIELS-MIDLAND COMPANY (US) 2007-07-12 WO disclosed
US-20070155644-A1 Environmentally Friendly Solvent Containing Isoamyl Lactate ARCHER-DANIEL-MIDLAND COMPANY (US) 2007-07-05 US disclosed
US-4911863-A Ferroelectric; mixture of compounds containing aromatic ester THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1990-03-27 US disclosed
EP-0263843-A1 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES. SECR DEFENCE BRIT (GB) 1988-04-20 EP disclosed
WO-1987005012-A2 LIQUID CRYSTAL COMPOUNDS, MIXTURES AND DEVICES THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-08-27 WO 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 (1 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-20130035234-A1 HERBICIDE COMPOSITION HAVING IMPROVED EFFECTIVENESS, METHOD OF PREPARATION AND USE DDT, HDHD5, PAOX MAPT 2915/4885TSHR 2444/4885TP53 1714/4885

“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.