SCHEMBL5545187

SCHEMBL5545187

NCC=CCC1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
EPHX1 P07099 1/20 0.32
CYP2D6 P10635 1/20 0.31
CHRM5 P08912 2/20 0.31
CYP1A2 P05177 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM1 P11229 1/20 0.31
ALOX5 P09917 1/20 0.30
TP53 P04637 1/20 0.30

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
Hydrochloric Acid SCHEMBL9718288 0.98 SIGMAR1 (0.37) SIGMAR1ADH1BADH1CADH1AADH4
Hydrochloric Acid SCHEMBL9718287 0.98 SIGMAR1 (0.37) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL29860701 0.84 ADH1B (0.36) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL14653055 0.77 SIGMAR1 (0.34) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL4680720 0.77 SIGMAR1 (0.39) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL4254639 0.77 SIGMAR1 (0.34) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL28216071 0.76 ADH1B (0.37) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL10768135 0.75 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL8769980 0.75 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7
SCHEMBL6986477 0.75 ADH1B (0.33) ADH1BADH1CADH1AADH4ADH7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1800687-A2 Anionic polymers as toxin binders and antibacterial agents GENZYME CORPORATION (US) 2007-06-27 EP claimed
US-6890523-B2 Anionic polymers as toxin binders and antibacterial agents GENZYME CORPORATION (US) 2005-05-10 US claimed
EP-1014999-B1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GENZYME CORP (US) 2004-12-08 EP claimed
US-20030138397-A1 Anionic polymers as toxin binders and antibacterial agents GELTEX PHARMACEUTICALS, INC. 2003-07-24 US claimed
JP-2002544226-A 2002-12-24 JP claimed
EP-1189622-A2 ANIONIC POLYMERS AS TOXIN BINDERS AND ANTIBACTERIAL AGENTS Geltex Pharmaceuticals, Inc. (US) 2002-03-27 EP claimed
US-20010041171-A1 Anionic polymers as toxin binders GELTEX PHARMACEUTICALS, INC. (US) 2001-11-15 US claimed
US-6270755-B1 POLYMER COMPRISING PENDANT ACID FUNCTIONAL GROUPS OR A SALT THEREOF WITH A PHARMACEUTICALLY ACCEPTABLE CATION, SAID POLYMER COMPRISING NO ACID ANHYDRIDE GROUPS. GELTEX PHARMACEUTICALS, INC. 2001-08-07 US claimed
WO-2000069428-A2 ANIONIC POLYMERS AS TOXIN BINDERS AND ANTIBACTERIAL AGENTS GELTEX PHARMACEUTICALS, INC. (US) 2000-11-23 WO claimed
EP-1014999-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 2000-07-05 EP claimed
US-6007803-A ADMINISTERING TO MAMMAL A CATIONIC POLYMER TO INHIBIT PATHOGENIC TOXINS GELTEX PHARMACEUTICALS, INC. (US) 1999-12-28 US claimed
WO-1999015186-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 1999-04-01 WO claimed
EP-2105434-A1 2-FLUORINATED ACYL-3-AMINOACRYLONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUI CHEMICALS AGRO, INC. (JP) 2009-09-30 EP disclosed
EP-1014999-B1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GENZYME CORP (US) 2004-12-08 EP disclosed
US-6692732-B2 Administering cationic polymers to mammals to prevent poisons or antigens from microorganisms such as bacteria, viruses, fungi or parasites; deactivation GENZYME CORPORATION 2004-02-17 US disclosed
US-20040009145-A1 IONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. 2004-01-15 US disclosed
US-6290947-B1 IN ONE EMBODIMENT, THE POLYMER IS A COPOLYMER COMPRISING A MONOMER HAVING A PENDANT AMMONIUM GROUP AND A HYDROPHOBIC MONOMER. GELTEX PHARMACEUTICALS, INC. 2001-09-18 US disclosed
EP-1014999-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 2000-07-05 EP disclosed
US-6007803-A ADMINISTERING TO MAMMAL A CATIONIC POLYMER TO INHIBIT PATHOGENIC TOXINS GELTEX PHARMACEUTICALS, INC. (US) 1999-12-28 US disclosed
WO-1999015186-A1 CATIONIC POLYMERS AS TOXIN-BINDING AGENTS GELTEX PHARMACEUTICALS, INC. (US) 1999-04-01 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 (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-20010041171-A1 Anionic polymers as toxin binders PIGS, CD47, BTD SIGMAR1 4343/4885ADH1B 4825/4885ADH1C 4462/4885
US-20030138397-A1 Anionic polymers as toxin binders and antibacterial agents MSN, ANTXR2, PNKP SIGMAR1 3749/4885ADH1B 4874/4885ADH1C 4756/4885
US-20040009145-A1 IONIC POLYMERS AS TOXIN-BINDING AGENTS PIGS, ANTXR2, MSN SIGMAR1 2275/4885ADH1B 4821/4885ADH1C 4623/4885

“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.