SCHEMBL88384

SCHEMBL88384

CC(C(=O)OCC1CO1)=C(c1ccccc1)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
MGLL Q99685 6/20 0.48
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28113552 0.82 ALDH1A1 (0.49) ALDH1A1MGLLTDP1
SCHEMBL3429148 0.82 MGLL (0.48) ALDH1A1MGLLTDP1
SCHEMBL529079 0.81 MGLL (0.47) ALDH1A1MGLLTDP1
Benzophenone SCHEMBL11799146 0.80 ALDH1A1 (0.69) ALDH1A1MGLL
Benzoic Acid SCHEMBL31405528 0.80 ALDH1A1 (0.69) ALDH1A1MGLLTDP1
SCHEMBL7039423 0.80 ALDH1A1 (0.69) ALDH1A1MGLL
SCHEMBL4441961 0.79 ALDH1A1 (0.54) ALDH1A1MGLLTDP1
Benzoyl Peroxide SCHEMBL11297982 0.78 ALDH1A1 (0.66) ALDH1A1MGLL
SCHEMBL28801665 0.78 ALDH1A1 (0.54) ALDH1A1MGLLTDP1
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 0.78 NPC1 (0.56) MGLLTDP1

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
US-20120202171-A1 DENTAL APPLIANCE D ANJOU LISSA T (US) 2012-08-09 US claimed
US-20120093741-A1 DENTAL MASKING COMPOUND VOCO GMBH (DE) 2012-04-19 US claimed
US-8129188-B2 Cell culture apparatus and method of fabricating the apparatus INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2012-03-06 US claimed
US-20110250558-A1 DUAL-CURING, MULTI-COMPONENT DENTAL COMPOSITION VOCO GMBH (DE) 2011-10-13 US claimed
WO-2011106089-A1 BENZALKONIUM CHLORIDE COMPOSITIONS FOR INHIBITING THE HYDROLYTIC ACTIVITY OF ENDOGENOUS MATRIX METALLOPROTEINASES IN DENTAL RESTORATIONS BISCO, INC. (US) 2011-09-01 WO claimed
US-20110207844-A1 Benzalkonium chloride compositions for inhibiting the hydrolytic activity of endogenous matrix metalloproteinases in dental restorations BISCO, INC. 2011-08-25 US claimed
US-6786720-B1 Epoxy resin bonding pad for a ceramic orthodontic appliance TP ORTHODONTICS, INC. 2004-09-07 US claimed
EP-1352617-A1 Epoxy resin bonding pad for a ceramic orthodontic appliance TP ORTHODONTICS, INC. (US) 2003-10-15 EP claimed
CN-107397684-A Filler for dental composite 夸兹沃克公司 2017-11-28 CN disclosed
US-20120202171-A1 DENTAL APPLIANCE D ANJOU LISSA T (US) 2012-08-09 US disclosed
US-20120093741-A1 DENTAL MASKING COMPOUND VOCO GMBH (DE) 2012-04-19 US disclosed
US-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element VOCO GMBH (DE) 2012-04-05 US disclosed
US-20110250558-A1 DUAL-CURING, MULTI-COMPONENT DENTAL COMPOSITION VOCO GMBH (DE) 2011-10-13 US disclosed
WO-2011106089-A1 BENZALKONIUM CHLORIDE COMPOSITIONS FOR INHIBITING THE HYDROLYTIC ACTIVITY OF ENDOGENOUS MATRIX METALLOPROTEINASES IN DENTAL RESTORATIONS BISCO, INC. (US) 2011-09-01 WO disclosed
US-8003579-B2 Oil-, hot water-and heat-resistant binders, process for preparing them and their use EPG (ENGINEERED NANOPRODUCTS GERMANY) AG (DE) 2011-08-23 US disclosed
US-20110039737-A1 BINDERS FOR BINDING BEDS AND LOOSE FORMATIONS AND PROCESSES FOR PRODUCING THEM EPG (ENGINEERED NANOPRODUCTS GERMANY) AG (DE) 2011-02-17 US disclosed
CN-101678067-A The enhanced bone mineralization of NELL-1 UNIV CALIFORNIA 2010-03-24 CN disclosed
US-6458869-B1 ETCHANT/PRIMER COMPOSITION, AN ETCHANT/PRIMER/ADHESIVE MONOMER COMPOSITION, KITS USING THE SAME AND METHODS USING THE SAME FOR IMPROVED BONDING TO DENTAL STRUCTURES. THE ETCHANT/PRIMER COMPOSITION COMPRISES A COMPOUND HAVING THE NATIONAL INSTITUTE OF STANDARDS OF TECHNOLOGY 2002-10-01 US disclosed
EP-0459361-A1 Dental filling band Din, Franklin M. (US) 1991-12-04 EP disclosed
US-5035615-A Dental filling band and method of use DIN FRANKLIN (US) 1991-07-30 US 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-20120082959-A1 Polymerizable Compounds Comprising a Polyalicylic Structure Element PCBP1, PUF60, PARG ALDH1A1 3882/4885MGLL 2049/4885TDP1 1169/4885

“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.