SCHEMBL802733

SCHEMBL802733

CC1=C(C)C(=O)N(C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
PKM P14618 1/20 0.40
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
MGLL Q99685 1/20 0.37
CASP3 P42574 2/20 0.36
APP P05067 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PTGS2 P35354 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
ADRA2C P18825 1/20 0.30

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
SCHEMBL15281062 0.89 ALDH1A1 (0.39) ALDH1A1PKMGSK3AGSK3BMGLL
SCHEMBL6850987 0.79 GSK3A (0.44) ALDH1A1GSK3AGSK3BMGLLCASP3
SCHEMBL4848548 0.78 CASP3 (0.31) ALDH1A1CASP3
SCHEMBL13252216 0.78 ALDH1A1 (0.33) ALDH1A1PKM
SCHEMBL13878863 0.78 DUSP3 (0.35) ALDH1A1PKMCASP3MAPT
SCHEMBL19059392 0.78 BCL2A1 (0.32) ALDH1A1CASP3MAPT
SCHEMBL19721765 0.78 MEN1 (0.31) CASP3PTGS2MEN1KMT2A
SCHEMBL10119694 0.74 ALDH1A1 (0.31) ALDH1A1PKM
SCHEMBL19506224 0.74 GSK3A (0.35) ALDH1A1GSK3AGSK3BMGLLCASP3
SCHEMBL19506068 0.74 GSK3A (0.35) ALDH1A1GSK3AGSK3BMGLLCASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3551675-A1 RESIN COMPOSITIONS Novoset, LLC (US) 2019-10-16 EP claimed
WO-2018111337-A1 RESIN COMPOSITIONS NOVOSET, LLC (US) 2018-06-21 WO claimed
US-12043781-B2 Liquid-crystalline medium MERCK PATENT GMBH (DE) 2024-07-23 US disclosed
US-20240067879-A1 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-02-29 US disclosed
US-11873439-B2 Polymerisable liquid crystal material and polymerised liquid crystal film MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11873438-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2024-01-16 US disclosed
US-11834598-B2 Dielectric copolymer materials MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11834598-B2 Dielectric copolymer materials MERCK PATENT GMBH (DE) 2023-12-05 US disclosed
US-11820932-B2 Polymerisable liquid crystal material and polymerised liquid crystal film MERCK PATENT GMBH (DE) 2023-11-21 US disclosed
US-20230357637-A1 LIQUID-CRYSTAL MEDIUM MERCK PATENT GMBH (DE) 2023-11-09 US disclosed
US-11802243-B2 Liquid-crystal medium MERCK PATENT GMBH (DE) 2023-10-31 US disclosed
EP-1666461-A2 Polyaspartimides useful as reactive components for polyisocyanates in two-component polyurethane coating compositions Bayer MaterialScience AG (DE) 2006-06-07 EP disclosed
US-20060106194-A1 Polyaspartimides BAYER MATERIALSCIENCE LLC 2006-05-18 US disclosed
WO-2005073188-A1 ASPARTATES USEFUL AS COMPONENTS IN COATING COMPOSITIONS AND THEIR PREPARATION BAYER MATERIALSCIENCE LLC (US) 2005-08-11 WO disclosed
US-20050159560-A1 PROCESS FOR PREPARING ASPARTATES COVESTRO DEUTSCHLAND AG (DE) 2005-07-21 US disclosed
US-6911501-B1 Reacting a di- or polyamine with an unsaturated ester and then reacting the resultant product with a maleimide, useful as reactive component for polyisocyanates in two-component polyurethane coating formulation BAYER MATERIALSCIENCE LLC (US) 2005-06-28 US disclosed
US-20040260137-A1 Process for the removal of conjugated olefins from a monoolefin stream CHEVRON PHILLIPS CHEMICAL COMPANY LP 2004-12-23 US disclosed
CN-1541529-A Sustained releasing agent for preventing and treating alga and legionella bacteria series and its compositions 益博爱股份有限公司 2004-11-03 CN disclosed
US-6720468-B2 BY REACTING WITH A DIELS-ALDER DIENOPHILE TO PROVIDE A FLUID COMPRISING A DIELS-ALDER ADDUCT AND MONOOLEFINS; AND RECOVERING A RESULTING MONOOLEFIN-CONTAINING FLUID CHEVRON PHILLIPS CHEMICAL COMPANY LP 2004-04-13 US disclosed
US-20020165420-A1 Process for the removal of conjugated olefins from a monoolefin stream CHEVRON PHILLIPS CHEMICAL COMPANY LP 2002-11-07 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 (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-20040260137-A1 Process for the removal of conjugated olefins from a monoolefin stream AKR7A2, DERA, APEX1 ALDH1A1 142/4885PKM 2261/4885GSK3A 4106/4885
US-20020165420-A1 Process for the removal of conjugated olefins from a monoolefin stream ADH1C, ADH1A, OXER1 ALDH1A1 58/4885PKM 3159/4885GSK3A 3451/4885

“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.