SCHEMBL6347343

SCHEMBL6347343

CCCNCCCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAOX Q6QHF9 1/20 0.44
EPHX2 P34913 1/20 0.40
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CTSK P43235 1/20 0.38
TDP1 Q9NUW8 1/20 0.36
TSHR P16473 2/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA14 Q9ULX7 2/20 0.33
CA7 P43166 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A1 P00352 1/20 0.33
DGKA P23743 1/20 0.33
CAPN1 P07384 1/20 0.33

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
SCHEMBL31226873 0.92 EPHX2 (0.44) PAOXEPHX2MAOAMAOBCTSK
SCHEMBL948359 0.89 PAOX (0.38) PAOXEPHX2MAOAMAOBCTSK
SCHEMBL7016506 0.88 EPHX2 (0.44) EPHX2MAOAMAOBTDP1TSHR
SCHEMBL20674794 0.87 EPHX2 (0.41) EPHX2MAOAMAOBCTSKTDP1
SCHEMBL3666005 0.85 CA12 (0.42) PAOXEPHX2MAOAMAOBCTSK
SCHEMBL26207801 0.85 TDP1 (0.47) PAOXEPHX2MAOAMAOBCTSK
SCHEMBL27216630 0.84 PAOX (0.41) PAOXEPHX2MAOAMAOBTDP1
SCHEMBL9891443 0.83 MAOA (0.46) EPHX2MAOAMAOBCTSKTDP1
SCHEMBL25525668 0.83 MAOA (0.42) EPHX2MAOAMAOBCTSKTDP1
SCHEMBL6342625 0.83 LTA4H (0.38) EPHX2MAOAMAOBCTSKTDP1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257393-A1 MACROMOLECULE-SUPPORTED THIENOAZEPINE COMPOUNDS, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-17 US disclosed
US-20230257393-A1 MACROMOLECULE-SUPPORTED THIENOAZEPINE COMPOUNDS, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-17 US disclosed
CN-116143678-A Conjugate linker, cell-binding molecule-drug conjugate containing the same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-05-23 CN disclosed
CN-110099682-B Coupled connector, cell binding molecule-drug conjugate containing same, and preparation and application thereof 杭州多禧生物科技有限公司 2023-03-31 CN disclosed
EP-3559004-A1 COUMARIN COMPOUNDS AND THEIR USES AS FLUORESCENT LABELS Illumina Cambridge Limited (GB) 2019-10-30 EP disclosed
WO-2018114710-A1 COUMARIN COMPOUNDS AND THEIR USES AS FLUORESCENT LABELS ILLUMINA CAMBRIDGE LIMITED (GB) 2018-06-28 WO disclosed
US-20180094140-A1 FLUORESCENT DYES AND THEIR USES AS BIOMARKERS ILLUMINA CAMBRIDGE LIMITED (GB) 2018-04-05 US disclosed
US-6936602-B1 Benzazepine derivatives, process for the preparation of the same and uses thereof TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-08-30 US disclosed
EP-1186604-A1 BENZAZEPINE DERIVATIVES, PROCESS FOR THE PREPARATION OF THE SAME AND USES THEREOF Takeda Chemical Industries, Ltd. (JP) 2002-03-13 EP 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-20230257393-A1 MACROMOLECULE-SUPPORTED THIENOAZEPINE COMPOUNDS, AND USES THEREOF HTR3D, PNMT, HTR3B PAOX 2700/4885EPHX2 842/4885MAOA 163/4885

“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.