SCHEMBL873301

SCHEMBL873301

C=CCCC(=O)C(=O)OCC

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.51
NPSR1 Q6W5P4 1/20 0.41
GLO1 Q04760 1/20 0.41
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
GAA P10253 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL27319730 0.88 FAAH (0.41) FAAHNPSR1GLO1ALDH1A1TSHR
SCHEMBL4974869 0.88 FAAH (0.57) FAAHNPSR1GLO1ALDH1A1TSHR
SCHEMBL21641889 0.85 FAAH (0.68) FAAHALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL20477114 0.85 FAAH (0.68) FAAHALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL410005 0.82 ALDH1A1 (0.42) FAAHNPSR1GLO1ALDH1A1TSHR
SCHEMBL18863964 0.81 TSHR (0.40) FAAHNPSR1ALDH1A1TSHRLMNA
SCHEMBL6382743 0.81 FAAH (0.53) FAAHNPSR1GLO1ALDH1A1TSHR
SCHEMBL16046274 0.79 FAAH (0.53) FAAHNPSR1GLO1ALDH1A1TSHR
SCHEMBL5402287 0.78 ALDH1A1 (0.48) FAAHALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL4527336 0.78 NPSR1 (0.43) FAAHNPSR1GLO1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110981820-B Method for synthesizing quinoxaline-2-ketone under acidic condition 上海彩迩文生化科技有限公司 2023-05-19 CN claimed
US-20260102525-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF SILBER B MICHAEL (US) 2026-04-16 US disclosed
US-20250255992-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF REILEY PHARMACEUTICALS INC (US) 2025-08-14 US disclosed
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2025-06-10 US disclosed
US-20240358866-A1 NSAID-DERIVED CONJUGATE COMPOUNDS FOR IMAGING REILEY PHARMACEUTICALS INC (US) 2024-10-31 US disclosed
WO-2024118818-A1 NSAID-DERIVED CONJUGATE COMPOUNDS FOR IMAGING Reiley Pharmaceuticals, Inc. (US) 2024-06-06 WO disclosed
EP-4247817-A1 MACROCYCLES CONTAINING A 1,3,4-OXADIAZOLE RING FOR USE AS MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2023-09-27 EP disclosed
CN-116670140-A Macrocyclic compounds containing 1,3, 4-oxadiazole rings as modulators of cystic fibrosis transmembrane conductance regulator 弗特克斯药品有限公司 2023-08-29 CN disclosed
EP-4225384-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF Reiley Pharmaceuticals, Inc. (US) 2023-08-16 EP disclosed
CN-116406368-A Conjugated compounds derived from sibs and methods of use thereof 赖利制药公司 2023-07-07 CN disclosed
EP-2618665-A1 HCV NS3 PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-07-31 EP disclosed
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS MSD ITALIA SRL (IT) 2013-07-11 US disclosed
WO-2012040040-A1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-03-29 WO disclosed
US-7947683-B2 3-(1,2,4-triazol-3-ylalkyl) azabicyclo (3.1.0) hexane derivatives as modulators of dopamine D3 receptors GLAXO GROUP LIMTED (GB) 2011-05-24 US disclosed
US-20100099695-A1 HCV NS3 Protease Inhibitors MSD ITALIA S.R.L. (IT) 2010-04-22 US disclosed
EP-2086982-A1 HCV NS3 PROTEASE INHIBITORS Merck & Co., Inc. (US) 2009-08-12 EP disclosed
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-05-14 US disclosed
WO-2008057209-A1 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-15 WO disclosed
EP-1869017-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-12-26 EP disclosed
WO-2006108701-A1 3- (1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2006-10-19 WO 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 (7 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-20100099695-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC FAAH 1933/4885NPSR1 4083/4885GLO1 1213/4885
US-20090124629-A1 3-(1,2,4-TRIAZOL-3YLALKYL) AZABRICLO (3.1.0) HEXANE DERIVATIVES AS MODULATORS OF DOPAMINE D3 RECEPTORS DRD3, HTR3C, TACR2 FAAH 1909/4885NPSR1 79/4885GLO1 4152/4885
US-20130178413-A1 HCV NS3 PROTEASE INHIBITORS HAVCR2, CTSC, GTF3C3 FAAH 1717/4885NPSR1 4173/4885GLO1 1127/4885
US-20250255992-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF PTGES2, PTGES, OPRK1 FAAH 535/4885NPSR1 1898/4885GLO1 874/4885
US-20260102525-A1 COXIB-DERIVED CONJUGATE COMPOUNDS AND METHODS OF USE THEREOF OPRK1, OPRD1, OPRM1 FAAH 444/4885NPSR1 2223/4885GLO1 3827/4885
US-20240358866-A1 NSAID-DERIVED CONJUGATE COMPOUNDS FOR IMAGING PTGES2, PTGS2, PTGES FAAH 456/4885NPSR1 316/4885GLO1 1612/4885
US-12324802-B2 Modulators of cystic fibrosis transmembrane conductance regulator CFTR, SCNN1G, SCNN1B FAAH 3786/4885NPSR1 3829/4885GLO1 1771/4885

“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.