SCHEMBL4653255

SCHEMBL4653255

C=CC(=O)OCc1cc(C(=O)O)c(C(=O)O)cc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TSHR P16473 7/20 0.37
ALDH1A1 P00352 6/20 0.37
TP53 P04637 3/20 0.37
HIF1A Q16665 3/20 0.37
CYP3A4 P08684 3/20 0.37
HSD17B10 Q99714 1/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HPGD P15428 1/20 0.34
HCAR2 Q8TDS4 1/20 0.31
HMGB1 P09429 1/20 0.30
CXCL12 P48061 1/20 0.30
FOLH1 Q04609 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
SCHEMBL1263541 0.83 THRB (0.47) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL6556703 0.81 TSHR (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL4653334 0.81 THRB (0.36) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28013558 0.80 CSNK2A1 (0.40) THRBTSHRALDH1A1CYP3A4MAPK1
SCHEMBL29445300 0.78 TP53 (0.49) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL18424772 0.76 PTPN1 (0.43) THRBTSHRALDH1A1CYP3A4HSD17B10
SCHEMBL12386663 0.76 TSHR (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10892751 0.76 TSHR (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL10890546 0.76 TSHR (0.50) THRBTSHRALDH1A1TP53HIF1A
SCHEMBL28531604 0.76 THRB (0.43) THRBALDH1A1TP53CYP3A4HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0843184-B1 Ocular lens material MENICON CO LTD (JP) 2004-03-03 EP disclosed
EP-0947856-A2 Ocular lens material Menicon Co., Ltd. (JP) 1999-10-06 EP disclosed
US-5811502-A CONTAINING COPOLYMERS OF METHACRYLIC ESTERS AND HAVING OXYGEN PERMEABILITY, SUFFICIENT HARDNESS AND WETTABILITY MENICON CO., LTD. (JP) 1998-09-22 US disclosed
EP-0843184-A2 Ocular lens material Menicon Co., Ltd. (JP) 1998-05-20 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-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-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.