SCHEMBL6866097

SCHEMBL6866097

CCCCOC(=O)NC(=N)NC(=O)OCCCC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.52
ACHE P22303 14/20 0.50
ALDH1A1 P00352 1/20 0.50
ATM Q13315 1/20 0.47
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 2/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL590532 0.87 EPHX1 (0.59) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL11401423 0.84 EPHX1 (0.42) EPHX1ACHEALDH1A1ATMRAB9A
SCHEMBL8196152 0.84 EPHX1 (0.48) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL1126445 0.84 ACHE (0.52) EPHX1ACHEALDH1A1ATMRAB9A
SCHEMBL28686045 0.83 NPC1 (0.41) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL9197261 0.83 EPHX1 (0.55) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL21572093 0.82 EPHX1 (0.51) EPHX1ACHETSHR
SCHEMBL1957825 0.82 EPHX1 (0.51) EPHX1ACHE
SCHEMBL7455335 0.81 EPHX1 (0.46) EPHX1ACHEALDH1A1ATMHPGD
SCHEMBL9395279 0.81 EPHX1 (0.53) EPHX1ACHEALDH1A1ATMHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163633-B Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2024-05-24 CN disclosed
US-11617367-B2 Antimicrobial polymers capable of supramolecular assembly INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2023-04-04 US disclosed
US-11525036-B2 Chemical compositions with antimicrobial functionality INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2022-12-13 US disclosed
CN-114163633-A Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2022-03-11 CN disclosed
CN-111491980-B Antimicrobial polymers capable of supramolecular assembly 国际商业机器公司 2022-03-11 CN disclosed
US-20210212314-A1 ANTIMICROBIAL POLYMERS CAPABLE OF SUPRAMOLECULAR ASSEMBLY AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2021-07-15 US disclosed
US-11006628-B2 Antimicrobial polymers capable of supramolecular assembly INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2021-05-18 US disclosed
US-20210040265-A1 CHEMICAL COMPOSITIONS WITH ANTIMICROBIAL FUNCTIONALITY INTERNATIONAL BUSINESS MACHINES CORPORATION 2021-02-11 US disclosed
US-10836864-B2 Chemical compositions with antimicrobial functionality INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-11-17 US disclosed
US-20200221692-A1 ANTIMICROBIAL POLYMERS CAPABLE OF SUPRAMOLECULAR ASSEMBLY INTERNATIONAL BUSINESS MACHINES CORPORATION 2020-07-16 US disclosed
US-10595527-B2 Antimicrobial polymers capable of supramolecular assembly INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2020-03-24 US disclosed
WO-2019116162-A1 ANTIMICROBIAL POLYMERS CAPABLE OF SUPRAMOLECULAR ASSEMBLY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2019-06-20 WO disclosed
US-20190174747-A1 ANTIMICROBIAL POLYMERS CAPABLE OF SUPRAMOLECULAR ASSEMBLY INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-06-13 US disclosed
US-20190177479-A1 CHEMICAL COMPOSITIONS WITH ANTIMICROBIAL FUNCTIONALITY INTERNATIONAL BUSINESS MACHINES CORPORATION 2019-06-13 US disclosed
EP-1409459-B1 ECL LABELS HAVING IMPROVED NON-SPECIFIC BINDING PROPERTIES, METHODS OF USING AND KITS CONTAINING THE SAME IGEN INT INC (US) 2012-07-04 EP disclosed
US-6808939-B2 LIGAND FOR USE AS TOOL IN DIAGNOSTIC ANALYSIS IGEN INTERNATIONAL, INC. 2004-10-26 US disclosed
US-20030027357-A1 ECL labels having improved non-specific binding properties, methods of using and kits containing the same BIOVERIS CORPORATION 2003-02-06 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 (11 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-20200221692-A1 ANTIMICROBIAL POLYMERS CAPABLE OF SUPRAMOLECULAR ASSEMBLY GMPS, NOD2, PUF60 EPHX1 4530/4885ACHE 1620/4885ALDH1A1 3332/4885
US-20210040265-A1 CHEMICAL COMPOSITIONS WITH ANTIMICROBIAL FUNCTIONALITY IMMT, ACIN1, TIMM10 EPHX1 3550/4885ACHE 1421/4885ALDH1A1 2068/4885
US-11617367-B2 Antimicrobial polymers capable of supramolecular assembly GMPS, NOD2, PUF60 EPHX1 4530/4885ACHE 1620/4885ALDH1A1 3332/4885
US-11006628-B2 Antimicrobial polymers capable of supramolecular assembly GMPS, NOD2, PUF60 EPHX1 4530/4885ACHE 1620/4885ALDH1A1 3332/4885
US-20210212314-A1 ANTIMICROBIAL POLYMERS CAPABLE OF SUPRAMOLECULAR ASSEMBLY GMPS, NOD2, PUF60 EPHX1 4530/4885ACHE 1620/4885ALDH1A1 3332/4885
US-20190177479-A1 CHEMICAL COMPOSITIONS WITH ANTIMICROBIAL FUNCTIONALITY IMMT, ACIN1, TIMM10 EPHX1 3550/4885ACHE 1421/4885ALDH1A1 2068/4885
US-10836864-B2 Chemical compositions with antimicrobial functionality IMMT, ACIN1, TIMM10 EPHX1 3550/4885ACHE 1421/4885ALDH1A1 2068/4885
US-11525036-B2 Chemical compositions with antimicrobial functionality IMMT, ACIN1, TIMM10 EPHX1 3550/4885ACHE 1421/4885ALDH1A1 2068/4885
US-10595527-B2 Antimicrobial polymers capable of supramolecular assembly GMPS, NOD2, PUF60 EPHX1 4530/4885ACHE 1620/4885ALDH1A1 3332/4885
US-20030027357-A1 ECL labels having improved non-specific binding properties, methods of using and kits containing the same HLCS, NONO, EBPL EPHX1 3112/4885ACHE 669/4885ALDH1A1 1926/4885
US-20190174747-A1 ANTIMICROBIAL POLYMERS CAPABLE OF SUPRAMOLECULAR ASSEMBLY GMPS, NOD2, PUF60 EPHX1 4530/4885ACHE 1620/4885ALDH1A1 3332/4885

“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.