SCHEMBL1678452

SCHEMBL1678452

CNCC1CCCCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.54
ADH1B P00325 1/20 0.48
ADH1C P00326 1/20 0.48
ADH1A P07327 1/20 0.48
ADH4 P08319 1/20 0.48
ADH7 P40394 1/20 0.48
EPHX1 P07099 2/20 0.43
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
CHRM5 P08912 2/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
CA9 Q16790 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL18966933 1.00 SIGMAR1 (0.54) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL1678659 1.00 SIGMAR1 (0.54) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL338123 1.00
SCHEMBL19143227 1.00 SIGMAR1 (0.54) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL18994846 1.00 SIGMAR1 (0.54) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL23637574 1.00 SIGMAR1 (0.54) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL22618111 1.00 SIGMAR1 (0.54) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL20746876 1.00 SIGMAR1 (0.54) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL21106601 1.00 SIGMAR1 (0.54) SIGMAR1ADH1BADH1CADH1AADH4
Hydrochloric Acid SCHEMBL2197235 0.97 SIGMAR1 (0.52) SIGMAR1ADH1BADH1CADH1AADH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230305396-A1 Euv Photoresist With Low-Activation-Energy Ligands Or High-Developer-Solubility Ligands TAIWAN SEMICONDUCTOR MANUFACTURING CO., LTD. (TW) 2023-09-28 US disclosed
WO-2023170715-A1 DUAL LSD1/HDAC INHIBITORS Jubilant Epicore LLC (US) 2023-09-14 WO disclosed
WO-2023171694-A1 CORE-SHELL TYPE HETEROGENEOUS CATALYST AND MANUFACTURING METHOD FOR OPTICALLY ACTIVE COMPOUND EMPLOYING SAME 国立大学法人東京大学 2023-09-14 WO disclosed
US-20220380520-A1 STRONG BINDING METAL-CHELATING RESINS USING MACROCYCLE MOLECULES SACHEM, INC. 2022-12-01 US disclosed
US-9822356-B2 Fluidic devices and systems for sample preparation or autonomous analysis CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2017-11-21 US disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 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 (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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI SIGMAR1 4028/4885ADH1B 2487/4885ADH1C 4567/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 SIGMAR1 706/4885ADH1B 998/4885ADH1C 3082/4885

“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.