SCHEMBL828427

SCHEMBL828427

C=CC(=O)OCCOCCOCCOCCOCCOCCOCCC

nearest known ligand 0.79

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.79
ALDH1A1 P00352 6/20 0.79
TP53 P04637 3/20 0.79
HIF1A Q16665 3/20 0.79
HSD17B10 Q99714 1/20 0.79
HPGD P15428 1/20 0.64
THRB P10828 5/20 0.62
CYP3A4 P08684 2/20 0.54
HCAR2 Q8TDS4 4/20 0.44
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL1649072 1.00 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL6905210 1.00 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9421560 1.00 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL238289 1.00 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL11762916 1.00 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL10150594 1.00 TSHR (0.79) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL19583211 0.94 TSHR (0.70) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL12701599 0.89 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4602612 0.89 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL8636795 0.89 TSHR (1.00) TSHRALDH1A1TP53HIF1AHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114402053-A Semiconducting nanoparticles 默克专利股份有限公司 2022-04-26 CN disclosed
US-20140186312-A1 Method Comprising Contacting Tissue With a Cross-Linkable Polyester Prepolymer MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2014-07-03 US disclosed
US-8329377-B2 Imide compound and chemically amplified resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-12-11 US disclosed
US-20120269761-A1 BIODEGRADABLE ELASTOMERS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2012-10-25 US disclosed
US-8173350-B2 Oxime compound and resist composition containing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-08 US disclosed
US-8143042-B2 Biodegradable elastomers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-03-27 US disclosed
US-20110129436-A1 POLYGLYCEROL SEBECATE PERITONEAL ADHESION PREVENTION BARRIER THE GENERAL HOSPITAL CORPORATION (US) 2011-06-02 US disclosed
US-20100028807-A1 Imide Compound and Chemically Amplified Resist Composition Containing The Same SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-02-04 US disclosed
US-20100021847-A1 Oxime Compound and Resist Composition Containing the Same SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-01-28 US disclosed
US-20090047256-A1 Biodegradable Elastomers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-02-19 US disclosed
US-20090011486-A1 Biodegradable Elastomers MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-01-08 US disclosed
US-4194066-A POLYMERIZING POLYOXYALKYLENE GLYCOL (METH)ACRYLATES JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JP) 1980-03-18 US disclosed
US-4026826-A ALKOXYSILANES JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JA) 1977-05-31 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 (6 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-20140186312-A1 Method Comprising Contacting Tissue With a Cross-Linkable Polyester Prepolymer COL14A1, ILK, COL1A1 TSHR 4248/4885ALDH1A1 119/4885TP53 2452/4885
US-20110129436-A1 POLYGLYCEROL SEBECATE PERITONEAL ADHESION PREVENTION BARRIER EPCAM, DSP, CDH1 TSHR 4719/4885ALDH1A1 1970/4885TP53 2742/4885
US-20090047256-A1 Biodegradable Elastomers DERA, ALG3, PUF60 TSHR 4739/4885ALDH1A1 31/4885TP53 2136/4885
US-20100028807-A1 Imide Compound and Chemically Amplified Resist Composition Containing The Same IGF1R, CCNA1, MYC TSHR 2519/4885ALDH1A1 386/4885TP53 1553/4885
US-20100021847-A1 Oxime Compound and Resist Composition Containing the Same CYC1, UQCRB, CBR1 TSHR 841/4885ALDH1A1 1280/4885TP53 3975/4885
US-20120269761-A1 BIODEGRADABLE ELASTOMERS DERA, ALG3, PUF60 TSHR 4739/4885ALDH1A1 31/4885TP53 2136/4885

“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.