SCHEMBL2059966

SCHEMBL2059966

C=C(C)C(=O)OC(=O)C(C)=CNC(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
ALDH1A1 P00352 7/20 0.35
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
TSHR P16473 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
CYP2D6 P10635 2/20 0.33
GLO1 Q04760 1/20 0.33
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SOAT1 P35610 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL15146072 0.92 GLO1 (0.38) ALDH1A1MGAMGAASIMGAM2
SCHEMBL2059968 0.83 ALDH1A1 (0.39) ALDH1A1MGAMGAASIMGAM2
SCHEMBL8928230 0.83 GLO1 (0.44) ALDH1A1MGAMGAASIMGAM2
SCHEMBL28552504 0.83 TSHR (0.35) THRBALDH1A1MGAMGAASI
SCHEMBL1131221 0.81 GLO1 (0.38) ALDH1A1MGAMGAASIMGAM2
SCHEMBL16968081 0.78 GLO1 (0.36) THRBALDH1A1MGAMGAASI
SCHEMBL29153931 0.78 GLO1 (0.36) ALDH1A1MGAMGAASIMGAM2
SCHEMBL11677604 0.77 GLO1 (0.35) THRBALDH1A1MGAMGAASI
SCHEMBL27935543 0.77 GLO1 (0.35) ALDH1A1MGAMGAASIMGAM2
SCHEMBL5702107 0.75 ALDH1A1 (0.39) ALDH1A1MGAMGAASIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101327167-B Use of hydroxylapatite crystal whisker with modified surface UNIV KUNMING SCIENCE & TECHNOLOGY 2011-06-08 CN claimed
CN-101327167-A Hydroxylapatite crystal whisker with modified surface and preparation and use thereof UNIV KUNMING SCIENCE & TECHNOLOGY (CN) 2008-12-24 CN claimed
CN-107847326-B Orthopedic implants 斯卡勒植入物公司 2019-01-29 CN disclosed
CN-107847326-A Orthopedic implants 斯卡勒植入物公司 2018-03-27 CN disclosed
CN-107205885-A Dental composition and application method 泽斯特知识产权控股有限公司 2017-09-26 CN disclosed
CN-105263581-A Curable nail compositions and methods for strengthening and repairing nails FAMOUS NAMES LLC 2016-01-20 CN disclosed
US-9132069-B2 One component self-adhesive dental composition, process of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2015-09-15 US disclosed
US-20140329205-A1 ONE COMPONENT SELF-ADHESIVE DENTAL COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2014-11-06 US disclosed
CN-104010623-A Methods and compositions to impart memory effects onto biosurfaces AVON PROD INC 2014-08-27 CN disclosed
US-8329776-B2 Dental composition containing a polyfunctional (meth)acrylate comprising urethane, urea or amide groups, method of production and use thereof 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-12-11 US disclosed
CN-101778919-B Adhesive composition for semiconductor and semiconductor device manufactured using the same SUMITOMO BAKELITE CO 2012-09-05 CN disclosed
CN-102292064-A Composite material for biomedical applications with self-healing and active ingredient release properties 2011-12-21 CN disclosed
CN-101327167-B Use of hydroxylapatite crystal whisker with modified surface UNIV KUNMING SCIENCE & TECHNOLOGY 2011-06-08 CN disclosed
US-20110053116-A1 DENTAL COMPOSITION CONTAINING A POLYFUNCTIONAL (METH)ACRYLATE COMPRISING URETHANE, UREA OR AMIDE GROUPS, METHOD OF PRODUCTION AND USE THEREOF SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2011-03-03 US disclosed
CN-101778919-A Adhesive composition for semiconductor and semiconductor device manufactured using the same SUMITOMO BAKELITE CO 2010-07-14 CN disclosed
CN-101327167-A Hydroxylapatite crystal whisker with modified surface and preparation and use thereof UNIV KUNMING SCIENCE & TECHNOLOGY (CN) 2008-12-24 CN disclosed
CN-100361638-C Method and apparatus for treating dental caries DENFOTEX LTD (GB) 2008-01-16 CN disclosed
CN-1350444-A Method and apparatus for treating dental caries DENFOTEX LTD (GB) 2002-05-22 CN disclosed
CN-1270504-A Dental composite and adhesion promoter IVAN STANGEL (US) 2000-10-18 CN 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 (2 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-20110053116-A1 DENTAL COMPOSITION CONTAINING A POLYFUNCTIONAL (METH)ACRYLATE COMPRISING URETHANE, UREA OR AMIDE GROUPS, METHOD OF PRODUCTION AND USE THEREOF MUS81, MAT1A, SMCHD1 THRB 1455/4885ALDH1A1 239/4885MGAM 4011/4885
US-20140329205-A1 ONE COMPONENT SELF-ADHESIVE DENTAL COMPOSITION, PROCESS OF PRODUCTION AND USE THEREOF ESD, CAD, GSS THRB 2743/4885ALDH1A1 277/4885MGAM 3711/4885

“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.