SCHEMBL8909377

SCHEMBL8909377

CCCCOC(=O)N(CC)CC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
ATM Q13315 1/20 0.50
TSHR P16473 5/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HCAR2 Q8TDS4 1/20 0.44
NAAA Q02083 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA9 Q16790 1/20 0.42
EPHX1 P07099 1/20 0.41
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL11300750 0.93 NAAA (0.52) ALDH1A1ATMTSHRHCAR2NAAA
SCHEMBL11051780 0.91 NAAA (0.55) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL25271914 0.91 NAAA (0.55) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL25270381 0.91 NAAA (0.55) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL14759112 0.91 NAAA (0.55) ALDH1A1TSHRHCAR2NAAAEPHX1
SCHEMBL16965707 0.91 MEN1 (0.45) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL27730146 0.88 ALDH1A1 (0.47) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL27437831 0.86 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDMEN1
SCHEMBL8909513 0.86 MEN1 (0.45) ALDH1A1ATMTSHRMEN1KMT2A
SCHEMBL15509316 0.86 ALDH1A1 (0.41) ALDH1A1ATMTSHRHPGDMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4446310-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND Asahi Kasei Kabushiki Kaisha (JP) 2024-10-16 EP disclosed
CN-118382612-A Method for producing blocked isocyanate compound and method for producing isocyanate compound 旭化成株式会社 2024-07-23 CN disclosed
US-20240158337-A1 GAS-PHASE OXIDATIVE COUPLING OF ALCOHOLS AND AMINES USING HETEROGENEOUS CATALYSTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2024-05-16 US disclosed
WO-2023106377-A1 METHOD FOR PRODUCING BLOCKED ISOCYANATE COMPOUND AND METHOD FOR PRODUCING ISOCYANATE COMPOUND 旭化成株式会社 2023-06-15 WO disclosed
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION HOFFMANN-LA ROCHE INC. (US) 2018-03-15 US disclosed
EP-2568019-B1 Inkjet ink JNC CORP (JP) 2015-09-02 EP disclosed
US-9040625-B2 Water/oil repellent composition, method for its production and article ASAHI GLASS COMPANY, LIMITED (JP) 2015-05-26 US disclosed
US-20140051797-A1 WATER/OIL REPELLENT COMPOSITION, METHOD FOR ITS PRODUCTION AND ARTICLE ASAHI GLASS COMPANY, LIMITED (JP) 2014-02-20 US disclosed
EP-2568019-A1 Inkjet ink JNC Corporation (JP) 2013-03-13 EP disclosed
US-8258148-B2 Spiroindoline modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-09-04 US disclosed
US-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-12-09 US disclosed
CN-1224001-A Process for preparation of carbonates and polycarbonates MONSANTO CO (US) 1999-07-28 CN disclosed
EP-0575191-B1 Non-aqueous electrolyte solvent and battery containing this electrolyte MITSUI PETROCHEMICAL IND (JP) 1997-08-27 EP disclosed
US-5434290-A Carbonylation of 1-cyanobut-2-ene with carbon monoxide and alkanol in presence of cobalt catalyst and activating organic carbonate solvent BASF AKTIENGESELLSCHAFT (DE) 1995-07-18 US disclosed
US-5385794-A Lithium battery; carbamate and cyclic carbonate solvents MITSUI PETROCHEMICAL INDUSTRIES LTD. (JP) 1995-01-31 US disclosed
EP-0575191-A1 Non-aqueous electrolyte solvent and battery containing this electrolyte MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1993-12-22 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-20100311720-A1 Spiroindoline Modulators of Muscarinic Receptors CHRM3, CHRM2, CHRM4 ALDH1A1 1076/4885ATM 1560/4885TSHR 79/4885
US-20180072730-A1 NOVEL 7-SUBSTITUTED SULFONIMIDOYLPURINONE COMPOUNDS AND DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF VIRUS INFECTION TPMT, SULT1E1, UGT1A7 ALDH1A1 235/4885ATM 4312/4885TSHR 4523/4885

“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.