SCHEMBL2612017

SCHEMBL2612017

C=CC(=O)OC(C)COC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.57
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 4/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
RECQL P46063 1/20 0.38
ALDH1A1 P00352 6/20 0.37
HPGD P15428 2/20 0.37
TP53 P04637 3/20 0.36
HIF1A Q16665 3/20 0.36
HSD17B10 Q99714 2/20 0.36
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
TBXA2R P21731 1/20 0.34
MAPK1 P28482 1/20 0.33
GALR3 O60755 1/20 0.33
BLM P54132 1/20 0.33

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
SCHEMBL2612018 0.93 TSHR (0.50) TSHRTDP1CYP3A4SMN1; SMN2MAPT
SCHEMBL268430 0.88 TSHR (0.73) TSHRCYP3A4SMN1; SMN2ALDH1A1HPGD
SCHEMBL30589890 0.88 TSHR (0.73) TSHRCYP3A4SMN1; SMN2ALDH1A1HPGD
SCHEMBL7994441 0.86 TSHR (0.59) TSHRTDP1CYP3A4SMN1; SMN2LMNA
Ethylene SCHEMBL8565034 0.86 TSHR (0.70) TSHRCYP3A4SMN1; SMN2ALDH1A1HPGD
SCHEMBL15495109 0.86 TSHR (0.59) TSHRCYP3A4SMN1; SMN2ALDH1A1HPGD
SCHEMBL5027283 0.85 TSHR (0.68) TSHRTDP1CYP3A4SMN1; SMN2MAPT
Propene SCHEMBL16859720 0.85 TSHR (0.68) TSHRCYP3A4SMN1; SMN2ALDH1A1HPGD
SCHEMBL2608248 0.85 TSHR (0.57) TSHRCYP3A4SMN1; SMN2ALDH1A1HPGD
SCHEMBL6840513 0.85 TSHR (0.62) TSHRCYP3A4SMN1; SMN2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108658869-A Compound with anti-tumor activity and preparation method thereof and the purposes in pharmacy 复旦大学 2018-10-16 CN disclosed
US-10030089-B2 Sugar free, statistical copolymers made from at least three monomers THE REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-07-24 US disclosed
EP-2981563-B1 SUGAR FREE, STATISTICAL COPOLYMERS MADE FROM AT LEAST THREE MONOMERS UNIV MINNESOTA (US) 2018-06-20 EP disclosed
US-9944740-B2 Sugar containing, amphiphilic copolymers REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2018-04-17 US disclosed
EP-2994493-B1 SUGAR CONTAINING, AMPHIPHILIC COPOLYMERS UNIV MINNESOTA (US) 2017-07-19 EP disclosed
US-20160120984-A1 SUGAR CONTAINING, AMPHIPHILIC COPOLYMERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-05-05 US disclosed
US-20160120984-A1 SUGAR CONTAINING, AMPHIPHILIC COPOLYMERS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2016-05-05 US disclosed
US-20160083492-A1 SUGAR FREE, STATISTICAL COPOLYMERS MADE FROM AT LEAST THREE MONOMERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-03-24 US disclosed
US-20160083492-A1 SUGAR FREE, STATISTICAL COPOLYMERS MADE FROM AT LEAST THREE MONOMERS THE REGENTS OF THE UNIVERSITY OF MINNESOTA 2016-03-24 US disclosed
US-8262931-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-20110233464-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS ZEON CORPORATION (JP) 2011-06-16 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 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 (5 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-20160120984-A1 SUGAR CONTAINING, AMPHIPHILIC COPOLYMERS SLC2A3, SLC2A1, SLC2A4 TSHR 4141/4885TDP1 3847/4885CYP3A4 570/4885
US-20160083492-A1 SUGAR FREE, STATISTICAL COPOLYMERS MADE FROM AT LEAST THREE MONOMERS SLC2A3, SLC2A4, SLC2A1 TSHR 4395/4885TDP1 3488/4885CYP3A4 171/4885
US-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 TSHR 4683/4885TDP1 2657/4885CYP3A4 2338/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885TDP1 3187/4885CYP3A4 2218/4885
US-10030089-B2 Sugar free, statistical copolymers made from at least three monomers SLC2A3, SLC2A4, SLC2A1 TSHR 4395/4885TDP1 3488/4885CYP3A4 171/4885

“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.