Sugi Predict

Sugi Predict / Compounds / SCHEMBL444337

SCHEMBL444337

SCHEMBL444337

CCCCC(O)=C(C)C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.44
▸ CES2 O00748 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.41
▸ AKR1B1 P15121 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ FNTA P49354 1/20 0.41
▸ FNTB P49356 1/20 0.41
▸ PGGT1B P53609 1/20 0.41
▸ GPR84 Q9NQS5 7/20 0.39
▸ PPARG P37231 7/20 0.39
▸ PPARD Q03181 7/20 0.39
▸ PPARA Q07869 7/20 0.39
▸ HDAC11 Q96DB2 5/20 0.39
▸ TSHR P16473 4/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ TLR2 O60603 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ FABP4 P15090 2/20 0.39
▸ SLC22A6 Q4U2R8 1/20 0.39

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
SCHEMBL4593133 1.00 CES1 (0.44) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL27920516 0.91 GPR84 (0.52) CES1CES2ALDH1A1AKR1B1THRB
SCHEMBL45044 0.86 HDAC3 (0.43) CES1CES2ALDH1A1AKR1B1THRB
SCHEMBL1075702 0.86 HDAC3 (0.43) CES1CES2ALDH1A1AKR1B1THRB
SCHEMBL1278168 0.81 FNTA (0.54) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL152164 0.81 FNTA (0.54) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL28779585 0.79 CES1 (0.46) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL10698087 0.79 CES1 (0.46) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL2469796 0.79 CES1 (0.46) CES1CES2ALDH1A1AKR1B1TP53
SCHEMBL20163587 0.79 CES1 (0.46) CES1CES2ALDH1A1AKR1B1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110325570-A Method for preparing functional water-soluble film 巴斯夫欧洲公司 2019-10-11 — — CN disclosed
CN-110291120-A Multilayer film, its production method and purposes 巴斯夫欧洲公司 2019-09-27 — — CN disclosed
CN-105980917-B Thermosetting composition having photo-alignment properties, alignment layer, substrate with alignment layer, phase difference plate, and device 大日本印刷株式会社 2019-08-23 — — CN disclosed
CN-109689704-A The method for preparing polymer composition 巴斯夫欧洲公司 2019-04-26 — — CN disclosed
CN-107528067-A Lithium ion cell positive is with electrocondution slurry and lithium ion cell positive composite material sizing agent 关西涂料株式会社 2017-12-29 — — CN disclosed
CN-106981662-A Lithium ion cell positive is with electrocondution slurry and lithium ion cell positive composite material sizing agent 关西涂料株式会社 2017-07-25 — — CN disclosed
CN-105980917-A Thermosetting composition having photo-alignment properties, alignment layer, substrate with alignment layer, phase difference plate, and device 大日本印刷株式会社 2016-09-28 — — CN disclosed
CN-105518038-A Solid polymer composition obtained by polymerization of an acid group-containing monomer in the presence of a polyether compound BASF SE 2016-04-20 — — CN disclosed
CN-1972663-B Aqueous preparations comprising water-soluble or water-dispersible copolymers containing at least one monomer having a nitrogen atom BASF AG 2013-03-27 — — CN disclosed
CN-102770111-A Block copolymers and their use BASF S E 2012-11-07 — — CN disclosed
CN-101044176-B Amphoteric ethyl methacrylate copolymers and uses thereof BASF AG 2011-06-15 — — CN disclosed
CN-101084247-B Anionic ethyl methacrylate copolymers and use thereof BASF AG 2010-08-18 — — CN disclosed
US-20080219934-A1 Anionic, Ampholytic Copolymers for Low-Voc-Compositions BASF AKTIENGESELLSCHAFT (DE) 2008-09-11 — — US disclosed
CN-101228197-A Amphoteric copolymers, their preparation and use BASF AG (DE) 2008-07-23 — — CN disclosed
CN-101084044-A Cosmetic preparations containing copolymers of ethyl methacrylate and at least one monoethylenically unsaturated carboxylic acid BASF AG (DE) 2007-12-05 — — CN disclosed
CN-101084247-A Anionic ethyl methacrylate copolymers and use thereof BASF AG (DE) 2007-12-05 — — CN disclosed
CN-101044176-A Amphoteric ethyl methacrylate copolymers and uses thereof BASF AG (DE) 2007-09-26 — — CN disclosed
CN-1972663-A Aqueous preparations comprising water-soluble or water-dispersible copolymers containing at least one monomer having a nitrogen atom BASF AG (DE) 2007-05-30 — — CN disclosed
CN-1890278-A Copolymers based on tert-butyl(meth)acrylate and use thereof BASF AG (DE) 2007-01-03 — — CN disclosed
CN-1890277-A Amphoteric anionic copolymers BASF AG (DE) 2007-01-03 — — CN 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-20080219934-A1 Anionic, Ampholytic Copolymers for Low-Voc-Compositions ABHD16A, APEH, ABHD5 CES1 456/4885CES2 39/4885ALDH1A1 1125/4885

“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.