SCHEMBL3266665

SCHEMBL3266665

C=CC(=O)OCCc1cc2c(cc1C(=O)O)C(=O)OC2=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.44
TSHR P16473 6/20 0.40
ALDH1A1 P00352 3/20 0.40
TP53 P04637 2/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP3A4 P08684 1/20 0.37
TYMS P04818 2/20 0.34
HPGD P15428 1/20 0.34
CA12 O43570 5/20 0.33
CA7 P43166 5/20 0.33
CA1 P00915 4/20 0.33
CA4 P22748 2/20 0.33
GAA P10253 1/20 0.33
HCAR2 Q8TDS4 1/20 0.33
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
CA2 P00918 2/20 0.31
CA9 Q16790 1/20 0.31

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
SCHEMBL7474574 0.91 TSHR (0.45) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4653334 0.88 THRB (0.36) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL19037330 0.84 HCAR2 (0.37) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL1263541 0.83 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL7460840 0.80 ALDH1A1 (0.33) THRBALDH1A1TP53HIF1ACYP3A4
SCHEMBL64565 0.80 THRB (0.39) THRBTSHRALDH1A1TYMSCA12
SCHEMBL7465153 0.80 THRB (0.41) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL16909946 0.78 THRB (0.39) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL11500121 0.77 ALDH1A1 (0.39) TSHRALDH1A1TP53HSD17B10CYP3A4
SCHEMBL2320779 0.76 THRB (0.48) THRBTSHRALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111234125-A Aldehyde-adsorbable VOC (volatile organic compound) resin and synthesis method thereof 烟台德邦科技有限公司 2020-06-05 CN claimed
US-9937104-B2 Nanostructured antibacterial and remineralizing dental bonding agents and dental bonding systems UNIVERSITY OF MARYLAND, BALTIMORE (US) 2018-04-10 US claimed
US-20170202752-A1 PROTEIN-REPELLENT DENTAL MATERIALS AND USE THEREOF IN DENTAL APPLICATIONS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-07-20 US claimed
EP-3171849-A1 PROTEIN-REPELLENT DENTAL MATERIALS AND USE THEREOF IN DENTAL APPLICATIONS The University of Maryland, Baltimore (US) 2017-05-31 EP claimed
US-20170112723-A1 NANOSTRUCTURED ANTIBACTERIAL AND REMINERALIZING DENTAL BONDING AGENTS AND DENTAL BONDING SYSTEMS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-04-27 US claimed
US-9554971-B2 Nanostructured antibacterial and remineralizing dental bonding agents and dental bonding systems UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-01-31 US claimed
US-9290471-B2 Dispersant, dispersion of color pigment, and photosensitive resist BOE TECHNOLOGY GROUP CO., LTD. (CN) 2016-03-22 US claimed
US-20160058675-A1 NANOSTRUCTURED ANTIBACTERIAL AND REMINERALIZING DENTAL BONDING AGENTS AND DENTAL BONDING SYSTEMS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-03-03 US claimed
WO-2016015005-A1 PROTEIN-REPELLENT DENTAL MATERIALS AND USE THEREOF IN DENTAL APPLICATIONS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2016-01-28 WO claimed
US-20150203463-A1 DISPERSANT, DISPERSION OF COLOR PIGMENT, AND PHOTOSENSITIVE RESIST BOE TECHNOLOGY GROUP CO., LTD. (CN) 2015-07-23 US claimed
EP-2811966-A1 NANOSTRUCTURED ANTIBACTERIAL AND REMINERALIZING DENTAL BONDING AGENTS AND DENTAL BONDING SYSTEMS University of Maryland (US) 2014-12-17 EP claimed
US-20140148526-A1 DENTAL BONDING AGENT AND COATING AGENT NATIONAL TAIWAN UNIVERSITY (TW) 2014-05-29 US claimed
US-20140050674-A1 Method for Improving Penetration or Long Term Adhesion of Compositions to Dental Tissues and Compositions Usable in Said Method UNIVERSITY OF OULU (FI) 2014-02-20 US claimed
WO-2013119901-A1 NANOSTRUCTURED ANTIBACTERIAL AND REMINERALIZING DENTAL BONDING AGENTS AND DENTAL BONDING SYSTEMS UNIVERSITY OF MARYLAND (US) 2013-08-15 WO claimed
WO-2012146832-A2 A METHOD FOR IMPROVING PENETRATION OR LONG TERM ADHESION OF COMPOSITIONS TO DENTAL TISSUES AND COMPOSITIONS USABLE IN SAID METHOD OULUN YLIOPISTO (FI) 2012-11-01 WO claimed
EP-1986588-A2 SELF ETCH ALL PURPOSE DENTAL COMPOSITION Pentron Clinical Technologies, LLC (US) 2008-11-05 EP claimed
US-20080242761-A1 One part acrylated monomer with aromatic carboxylic anhydride functionality, multifunctional acrylate resin, diluent monomer and curing system; one step restorative dentistry; self and light curable JIA WEITAO 2008-10-02 US claimed
WO-2007100569-A2 SELF ETCH ALL PURPOSE DENTAL COMPOSITION PENTRON CLINICAL TECHNOLOGIES LLC (US) 2007-09-07 WO claimed
US-20070197683-A1 SELF ETCH ALL PURPOSE DENTAL COMPOSITIONS, METHOD OF MANUFACTURE, AND METHOD OF USE THEREOF PENTRON CLINICAL TECHNOLOGIES, INC (US) 2007-08-23 US claimed
US-20070197682-A1 Self etch all purpose dental cement composition, method of manufacture, and method of use thereof PENTRON CORPORATION 2007-08-23 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070197682-A1 Self etch all purpose dental cement composition, method of manufacture, and method of use thereof FHIT, COPE, ASH2L THRB 3947/4885TSHR 4848/4885ALDH1A1 4447/4885
US-20140148526-A1 DENTAL BONDING AGENT AND COATING AGENT PHOSPHO1, PDAP1, ITGA4 THRB 4549/4885TSHR 4759/4885ALDH1A1 1428/4885
US-20070197683-A1 SELF ETCH ALL PURPOSE DENTAL COMPOSITIONS, METHOD OF MANUFACTURE, AND METHOD OF USE THEREOF CAD, FHIT, ACR THRB 1851/4885TSHR 4432/4885ALDH1A1 681/4885
US-20080242761-A1 One part acrylated monomer with aromatic carboxylic anhydride functionality, multifunctional acrylate resin, diluent monomer and curing system; one step restorative dentistry; self and light curable CAD, TAS2R42, ACR THRB 1701/4885TSHR 3760/4885ALDH1A1 45/4885

“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.