SCHEMBL409710

SCHEMBL409710

COc1cc(C([O])=O)ccc1O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
SLC22A6 Q4U2R8 1/20 0.75
SLC22A8 Q8TCC7 1/20 0.75
RAB9A P51151 1/20 0.75
HTT P42858 1/20 0.72
HSD17B2 P37059 1/20 0.62
CYP1A2 P05177 1/20 0.60
HSP90AA1 P07900 1/20 0.60
HSP90AB1 P08238 1/20 0.60
BLM P54132 1/20 0.60
KDM4E B2RXH2 1/20 0.58
POLB P06746 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 4/20 0.57
HPGD P15428 2/20 0.57
HSD17B10 Q99714 2/20 0.57
DUSP3 P51452 2/20 0.57
GFER P55789 1/20 0.57
GAA P10253 2/20 0.56

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
SCHEMBL15289000 0.86 MEN1 (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL29532454 0.86 MEN1 (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A
SCHEMBL15814046 0.86 SLC22A6 (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A
Vanillic Acid SCHEMBL8853970 0.85 MEN1 (0.70) MEN1KMT2ASLC22A6SLC22A8RAB9A
Apocynin SCHEMBL464770 0.84 MEN1 (0.75) MEN1KMT2ASLC22A6SLC22A8RAB9A
Vanillic Acid SCHEMBL26179 0.84 HTT (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A
Apocynin SCHEMBL29364797 0.84 MEN1 (0.75) MEN1KMT2ASLC22A6SLC22A8RAB9A
Apocynin SCHEMBL109514 0.84 MEN1 (0.75) MEN1KMT2ASLC22A6SLC22A8RAB9A
Vanillic Acid SCHEMBL9711598 0.84 HTT (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A
Vanillic Acid SCHEMBL29378740 0.84 HTT (1.00) MEN1KMT2ASLC22A6SLC22A8RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023127699-A1 MODIFIED VINYL ALCOHOL POLYMER AND METHOD FOR PRODUCING SAME 株式会社クラレ 2023-07-06 WO disclosed
EP-1773779-B1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIV LAVAL (CA) 2013-12-04 EP disclosed
US-8557804-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-15 US disclosed
US-8551983-B2 Nicotinic receptor agonists for the treatment of inflammatory diseases UNIVERSITE LAVAL (CA) 2013-10-08 US disclosed
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2012-01-26 US disclosed
US-8039459-B2 especially dimethylphenylpiperazinium; treating a variety of pulmonary diseases with fewer side effects than other anti-inflammatory drugs, such as steroids UNIVERSITE LAVAL (CA) 2011-10-18 US disclosed
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases UNIVERSITE LAVAL (CA) 2008-09-11 US disclosed
EP-1773779-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITE LAVAL (CA) 2007-04-18 EP disclosed
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
WO-2006005195-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES UNIVERSITé LAVAL (CA) 2006-01-19 WO disclosed
WO-2005082459-A2 METHOD OF DECREASING BLOOD CELLS JAPAN TOBACCO INC. (JP) 2005-09-09 WO disclosed
US-20050187221-A1 Method of treating ischemia reperfusion injury JAPAN TOBACCO INC. (JP) 2005-08-25 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 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 (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-20050187221-A1 Method of treating ischemia reperfusion injury TNF, IL1B, TNNI3 MEN1 4862/4885KMT2A 4443/4885SLC22A6 2511/4885
US-20080221085-A1 Nicotinic Receptor Agonists for the Treatment of Inflammatory Diseases CHRNA1, CHRNG, CHRM1 MEN1 3942/4885KMT2A 2948/4885SLC22A6 1644/4885
US-20120022049-A1 NICOTINIC RECEPTOR AGONISTS FOR THE TREATMENT OF INFLAMMATORY DISEASES CHRNA1, CHRNG, CHRM1 MEN1 3942/4885KMT2A 2948/4885SLC22A6 1644/4885

“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.