SCHEMBL628018

SCHEMBL628018

COC(=O)NCCCC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.57
TSHR P16473 2/20 0.52
ADRA1A P35348 1/20 0.52
HTT P42858 1/20 0.51
PRMT1 Q99873 1/20 0.50
PLA2G4A P47712 1/20 0.47
ALDH1A1 P00352 1/20 0.45
EPHX2 P34913 2/20 0.44
LMNA P02545 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
ATM Q13315 1/20 0.43
PLA2G2A P14555 1/20 0.43
ACHE P22303 1/20 0.42
NFKB1 P19838 1/20 0.42
PMP22 Q01453 1/20 0.42

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
SCHEMBL4704932 0.93 ADRA1A (0.61) EPHX1TSHRADRA1AHTTPRMT1
SCHEMBL9828955 0.91 ADRA1A (0.64) EPHX1TSHRADRA1APRMT1PLA2G4A
SCHEMBL7123668 0.91 ADRA1A (0.64) EPHX1TSHRADRA1APRMT1PLA2G4A
SCHEMBL6473541 0.91 ADRA1A (0.64) EPHX1TSHRADRA1APRMT1PLA2G4A
SCHEMBL13213196 0.86 ADRA1A (0.58) EPHX1TSHRADRA1APRMT1PLA2G4A
SCHEMBL205904 0.86 EPHX1 (0.50) EPHX1TSHRADRA1AHTTPRMT1
SCHEMBL7252127 0.83 EPHX1 (0.77) EPHX1TSHRACHE
SCHEMBL14433357 0.83 EPHX1 (0.70) EPHX1TSHRACHE
SCHEMBL8638899 0.83 EPHX1 (0.53) EPHX1TSHRADRA1AHTTPLA2G4A
SCHEMBL21538522 0.82 TSHR (0.61) EPHX1TSHRALDH1A1EPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115703736-A Multi-target inhibitors targeting HDAC and NAD synthesis and uses thereof 中国海洋大学 2023-02-17 CN disclosed
WO-2018121678-A1 PRODRUG OF ANTIVIRAL NUCLEOSIDE ANALOGUES, AND COMPOSITION AND USE THEREOF 广东东阳光药业有限公司 2018-07-05 WO disclosed
US-9175335-B2 Biomolecule interaction using atomic force microscope POSCO (KR) 2015-11-03 US disclosed
EP-2852587-A1 ANTIVIRAL COMPOUNDS WITH AN IMIDAZOLE - BIPHENYL - IMIDAZOLE CORE Gilead Sciences, Inc. (US) 2015-04-01 EP disclosed
EP-2850085-A1 ANTIVIRAL COMPOUNDS INHIBITORS OF HCV NS5B Gilead Pharmasset LLC (US) 2015-03-25 EP disclosed
US-20140315319-A1 BIOMOLECULE INTERACTION USING ATOMIC FORCE MICROSCOPE POSCO (KR) 2014-10-23 US disclosed
EP-2741746-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2014-06-18 EP disclosed
US-8673621-B2 Biomolecule interaction using atomic force microscope POSTECH FOUNDATION (KR) 2014-03-18 US disclosed
US-8647823-B2 Polynucleotide synthesis on a modified surface POSTECH FOUNDATION (KR) 2014-02-11 US disclosed
WO-2014018913-A2 SANTACRUZAMATE A COMPOSITIONS AND ANALOGS AND METHODS OF USE UNIVERSITY OF CONNECTICUT (US) 2014-01-30 WO disclosed
US-7547765-B2 Branched polyalkylene glycols KYOWA HAKKO KIRIN CO., LTD. (JP) 2009-06-16 US disclosed
US-20090099061-A1 SYNTHESIS OF CAROTENOID ANALOGS OR DERIVATIVES WITH IMPROVED ANTIOXIDANT CHARACTERISTICS CARDAX PHARMACEUTICALS, INC. 2009-04-16 US disclosed
WO-2008118862-A1 CAROTENOID ANALOGS AND DERIVATIVES FOR THE PREVENTION OF PLATELET AGGREGATION CARDAX PHARMACEUTICALS, INC. (US) 2008-10-02 WO disclosed
US-20080125350-A1 BRANCHED POLYALKYLENE GLYCOLS KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-29 US disclosed
US-20080125350-A1 BRANCHED POLYALKYLENE GLYCOLS KYOWA HAKKO KOGYO CO., LTD. (JP) 2008-05-29 US disclosed
US-20080113353-A1 Cantilevers with fixed end and free end modified by dendron POSTECH FOUNDATION (KR) 2008-05-15 US disclosed
US-20080064070-A1 POLYNUCLEOTIDE SYNTHESIS ON A MODIFIED SURFACE POSTECH FOUNDATION (KR) 2008-03-13 US disclosed
US-7291713-B2 Branched polyalkylene glycols KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-06 US disclosed
US-7291713-B2 Branched polyalkylene glycols KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-11-06 US disclosed
US-20070128623-A1 Cantilevers with fixed end and free end modified by dendron POSTECH FOUNDATION (KR) 2007-06-07 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-20080125350-A1 BRANCHED POLYALKYLENE GLYCOLS LNPEP, ANPEP, ENPEP EPHX1 3822/4885TSHR 1429/4885ADRA1A 3910/4885
US-20090099061-A1 SYNTHESIS OF CAROTENOID ANALOGS OR DERIVATIVES WITH IMPROVED ANTIOXIDANT CHARACTERISTICS CAT, HBZ, POLL EPHX1 2995/4885TSHR 3277/4885ADRA1A 2277/4885

“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.