SCHEMBL679044

SCHEMBL679044

O=C(CCCO)NCCO

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.52
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
BLM P54132 2/20 0.50
KMT2A Q03164 2/20 0.50
TRPV1 Q8NER1 2/20 0.50
CNR2 P34972 2/20 0.50
SELP P16109 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.50
FAAH O00519 1/20 0.50
KCNK3 O14649 1/20 0.50
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
ALOX12 P18054 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NAAA Q02083 1/20 0.48

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
SCHEMBL3835589 0.92 SELP (0.53) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL8896628 0.92 CNR1 (0.53) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL21559869 0.92 NAAA (0.50) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL4103969 0.92 SELP (0.56) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL11779596 0.90 SELP (0.56) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL3832619 0.90 SELP (0.56) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL11528832 0.90 SELP (0.59) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL12565672 0.90 SELP (0.59) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL21216091 0.90 SELP (0.59) CNR1ALDH1A1MEN1BLMKMT2A
SCHEMBL620134 0.90 NAAA (0.54) CNR1ALDH1A1MEN1KMT2AFAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024147636-A1 METHOD FOR PRODUCING N-METHYL-2-PYRROLIDONE USING POLYHYDROXYALKANOATE, AND N-METHYL-2-PYRROLIDONE PREPARED THEREFROM 씨제이제일제당(주) 2024-07-11 WO claimed
US-20120328536-A1 Taste Improving Substances QUEST INTERNATIONAL SERVICES B.V. (NL) 2012-12-27 US claimed
US-8067419-B2 N-[(S)-1-benzyl-2-(4-benzyl-piperazin-1-yl)-2-oxo-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide, for example; antiprotozoa agents ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-29 US claimed
US-8039644-B2 Hydrogenated benzo (C) thiophene derivatives as immunomodulators ACTELION PHARMACEUTICALS LTD. (CH) 2011-10-18 US claimed
EP-1863475-B1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-07 EP claimed
US-7951794-B2 Thiophene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2011-05-31 US claimed
EP-1863787-B1 HYDOGRENATED BENZO[C]THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2011-05-25 EP claimed
US-7846964-B2 Thiophene derivatives as spingosine-1-phosphate-1 receptor agonists ACTELION PHARMACEUTICALS LTD. (CH) 2010-12-07 US claimed
US-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2010-08-12 US claimed
US-7723378-B2 G protein-coupled receptor S1P1/EDG1 agonists; 3-(4-hydroxy-3,5-dimethyl-phenyl)-1-(3,5,5-trimethyl-4,5,6,7-tetrahydro-benzo[c]thiophen-1-yl)-propan-1-one; transplant rejection, graft-versus-host diseases, autoimmune syndromes; side effects reduction; immunosuppressive agents; Crohn's disease ACTELION PHARMACEUTICALS LTD. (CH) 2010-05-25 US claimed
US-20060287207-A1 Composition for removing a photoresist, method of preparing the composition, method of removing a photoresist and method of manufacturing a semiconductor device using the composition SAMSUNG ELECTRONICS CO., LTD. (KR) 2006-12-21 US claimed
WO-2006100631-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
WO-2006100633-A1 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-l-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
WO-2006100635-A2 NOVEL THIOPHENE DERIVATIVES AS SPHINGOSINE-1-PHOSPHATE-1 RECEPTOR AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-09-28 WO claimed
US-20030144551-A1 Methods of making intermediates from polyhydroxyalkanoates CJ CHEILJEDANG CORPORATION (KR) 2003-07-31 US claimed
WO-2003051813-A1 METHODS OF MAKING INTERMEDIATES FROM POLYHYDROXYALKANOATES METABOLIX, INC. (US) 2003-06-26 WO claimed
US-5753708-A Derivatives of 4-hydroxybutyric acid KOEHLER GERNOT (DE) 1998-05-19 US claimed
EP-0536369-A1 4-HYDROXY BUTYRIC ACID DERIVATIVES. KOEHLER CHEMIE DR FRANZ (DE) 1993-04-14 EP claimed
WO-1992019581-A1 4-HYDROXY BUTYRIC ACID DERIVATIVES Dr. Franz Köhler Chemie GmbH (DE) 1992-11-12 WO claimed
US-4143159-A SKIN-CARE AGENTS CONTAINING HYDROXYALKYL CARBOXAMIDES AND PROCESS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-03-06 US claimed

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-20100204198-A1 HYDROGENATED BENZO (C) THIOPHENE DERIVATIVES AS IMMUNOMODULATORS NFATC1, ICOS, TPMT CNR1 469/4885ALDH1A1 867/4885MEN1 4419/4885
US-20120328536-A1 Taste Improving Substances TAS2R5, TAS2R3, TAS2R42 CNR1 742/4885ALDH1A1 568/4885MEN1 3716/4885
US-20030144551-A1 Methods of making intermediates from polyhydroxyalkanoates HMBS, COASY, PGLS CNR1 4377/4885ALDH1A1 1161/4885MEN1 4312/4885

“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.