SCHEMBL2176833

SCHEMBL2176833

OCCCCCc1cccc(CCCCCO)c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.56
CYP4A11 Q02928 2/20 0.56
BCHE P06276 3/20 0.47
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
CA2 P00918 1/20 0.46
NOS1 P29475 1/20 0.46
IGF1R P08069 1/20 0.45
ALOX15 P16050 1/20 0.45
MGLL Q99685 1/20 0.44
TBXA2R P21731 1/20 0.44
ACHE P22303 1/20 0.44

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
SCHEMBL238401 0.98 CYP4F2 (0.58) CYP4F2CYP4A11BCHELPLLIPG
SCHEMBL10922837 0.94 CYP4F2 (0.51) CYP4F2CYP4A11BCHELPLLIPG
SCHEMBL241880 0.90 CYP4F2 (0.53) CYP4F2CYP4A11LPLLIPGCA2
SCHEMBL13703310 0.90 CYP4F2 (0.57) CYP4F2CYP4A11BCHELPLLIPG
SCHEMBL611924 0.90 MAOA (0.50) CYP4F2CYP4A11BCHECA2NOS1
SCHEMBL10922238 0.90 CYP4F2 (0.49) CYP4F2CYP4A11BCHELPLLIPG
SCHEMBL610693 0.90 MAOA (0.50) CYP4F2CYP4A11BCHECA2NOS1
SCHEMBL10235642 0.90 LPL (0.57) CYP4F2CYP4A11BCHELPLLIPG
SCHEMBL3033916 0.90 LPL (0.62) CYP4F2CYP4A11LPLLIPGACHE
SCHEMBL10235701 0.90 LPL (0.57) CYP4F2CYP4A11BCHELPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10071982-B2 Method of treating neuropathic pain UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2018-09-11 US disclosed
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2018-04-05 US disclosed
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS NDSU RESEARCH FOUNDATION (US) 2017-08-17 US disclosed
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 US disclosed
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 US disclosed
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN UNIVERSITY OF UTAH (US) 2016-11-24 US disclosed
US-9499518-B2 Bis-quaternary ammonium salts as pain modulating agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-11-22 US disclosed
US-9499518-B2 Bis-quaternary ammonium salts as pain modulating agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-11-22 US disclosed
US-9499518-B2 Bis-quaternary ammonium salts as pain modulating agents UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-11-22 US disclosed
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2016-09-29 US disclosed
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-8178678-B2 Bis-quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2012-05-15 US disclosed
US-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-07-07 US disclosed
US-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-07-07 US disclosed
US-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2011-07-07 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 US disclosed
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 2010-03-18 US disclosed
WO-2007149163-A2 BIS-QUATERNARY AMMONIUM SALTS AND METHODS FOR MODULATING NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS UNIVERSITY OF KENTUCKY (US) 2007-12-27 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-20110166177-A1 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 CYP4F2 4707/4885CYP4A11 4271/4885BCHE 1340/4885
US-10071982-B2 Method of treating neuropathic pain INA, GAP43, ACHE CYP4F2 4743/4885CYP4A11 4241/4885BCHE 312/4885
US-20160340335-A9 METHOD OF TREATING NEUROPATHIC PAIN INA, GAP43, ACHE CYP4F2 4743/4885CYP4A11 4241/4885BCHE 312/4885
US-20180093939-A9 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS CYP4F2 1524/4885CYP4A11 2566/4885BCHE 1810/4885
US-20170233325-A1 NOVEL MONOMERS FROM BIOMASS DCXR, MANBA, PGLS CYP4F2 1524/4885CYP4A11 2566/4885BCHE 1810/4885
US-20160279119-A9 BIS-QUATERNARY AMMONIUM SALTS AS PAIN MODULATING AGENTS RELA, FHIT, OPRL1 CYP4F2 4707/4885CYP4A11 4271/4885BCHE 1340/4885
US-20100069432-A1 Bis-Quaternary Ammonium Salts and Methods for Modulating Neuronal Nicotinic Acetylcholine Receptors CHRNA2, CHRNA5, CHRNA4 CYP4F2 2588/4885CYP4A11 2417/4885BCHE 39/4885

“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.