SCHEMBL225566

SCHEMBL225566

O=CCC(=O)c1ccccn1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.55
CES1 P23141 1/20 0.55
LMNA P02545 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
NAPRT Q6XQN6 1/20 0.53
P4HTM Q9NXG6 1/20 0.53
ALDH1A1 P00352 1/20 0.52
CTNNB1 P35222 4/20 0.50
WNT3A P56704 3/20 0.50
GRM4 Q14833 1/20 0.50
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
GSK3B P49841 1/20 0.47
KDM4E B2RXH2 2/20 0.46
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
RAB9A P51151 1/20 0.46
GPR52 Q9Y2T5 1/20 0.44
MEN1 O00255 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
SCHEMBL6027197 0.86 CES2 (0.48) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL4555882 0.83 CES2 (0.53) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL9747177 0.81 CTNNB1 (0.55) CES2CES1LMNAL3MBTL1NAPRT
Hydrochloric Acid SCHEMBL4912576 0.81 CES2 (0.52) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL2470002 0.79 CTNNB1 (0.71) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL29355245 0.79 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL253276 0.79 CES2 (0.64) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL19287209 0.79 CTNNB1 (0.53) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL13212906 0.78 CES2 (0.52) CES2CES1LMNAL3MBTL1NAPRT
SCHEMBL422632 0.78 CES2 (0.61) CES2CES1LMNAL3MBTL1NAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1738646-B1 Forming germicidal aromatic dialdehydes with acetals ETHICON INC (US) 2013-03-20 EP claimed
US-7291649-B2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-11-06 US claimed
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. 2007-01-04 US claimed
EP-1738646-A2 Forming germicidal aromatic dialdehydes with acetals ETHICON, INC. (US) 2007-01-03 EP claimed
CN-113614082-B Material for organic electroluminescent device 默克专利有限公司 2024-06-18 CN disclosed
CN-114222738-B Material for organic electroluminescent device 默克专利有限公司 2024-05-17 CN disclosed
CN-117813296-A CD38 modulators and methods of use thereof 赛特凯恩蒂克公司 2024-04-02 CN disclosed
CN-114728275-B Curing catalyst for curing polymer, moisture-curable composition, and method for producing cured product 日东化成株式会社 2024-02-20 CN disclosed
CN-114729155-B Moisture-curable composition and method for producing cured product 日东化成株式会社 2024-02-13 CN disclosed
WO-2024029615-A1 CURABLE COMPOSITION 株式会社カネカ 2024-02-08 WO disclosed
CN-117466817-A Preparation method of polysubstituted pyrazole derivative 华侨大学 2024-01-30 CN disclosed
CN-117362276-A Tropomyosin receptor kinase A inhibitor and preparation method and application thereof 复旦大学 2024-01-09 CN disclosed
US-20050171216-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
US-20050171215-A1 Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization ETHICON, INC. 2005-08-04 US disclosed
EP-1559435-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization Ethicon, Inc. (US) 2005-08-03 EP disclosed
EP-1559704-A1 Synthesis of 4-substituted phthalaldehyde ETHICON, INC. (US) 2005-08-03 EP disclosed
US-6891069-B1 Synthesis of 4-substituted phthalaldehyde ETHICON, INC. (US) 2005-05-10 US disclosed
WO-2005014723-A1 CYANIN-TYPE COMPOUNDS HAVING AN ALKYNYL LINKER ARM CAPUTO GIUSEPPE (IT) 2005-02-17 WO disclosed
US-4550166-A SEDATIVES, TRANQUILIZERS, TENSION REDUCERS AMERICAN CYANAMID COMPANY (US) 1985-10-29 US disclosed
US-3948903-A Substituted N-(1,2-dihydro-2-oxonicotinyl)-cephalexins and -cephaloglycins PARKE, DAVIS & COMPANY (US) 1976-04-06 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 (3 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-20050171216-A1 Germicidal compositions containing phthalaldehyde mixtures and methods of using such compositions for disinfection or sterilization ALPG, DDT, DHODH CES2 1884/4885CES1 3561/4885LMNA 2843/4885
US-20070004808-A1 Forming germicidal aromatic dialdehydes with acetals ALPG, DDT, ACR CES2 362/4885CES1 2844/4885LMNA 1743/4885
US-20050171215-A1 Germicidal compositions containing halogenated phthalaldehyes, and methods of using such compositions for disinfection or sterilization ALPG, G6PD, PGLS CES2 2401/4885CES1 3672/4885LMNA 1787/4885

“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.