SCHEMBL2608250

SCHEMBL2608250

C=CC(=O)OCCN(C)CCOC(=O)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.47
HPGD P15428 1/20 0.46
ALDH1A1 P00352 6/20 0.46
TP53 P04637 3/20 0.46
HIF1A Q16665 3/20 0.46
CYP3A4 P08684 2/20 0.46
HSD17B10 Q99714 1/20 0.46
THRB P10828 2/20 0.39
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRM3 P20309 1/20 0.32
CHRNA4 P43681 1/20 0.32
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 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
SCHEMBL5707610 0.89 TSHR (0.56) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608181 0.85 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16316503 0.85 CHRNB2 (0.41) ALDH1A1CYP3A4SMN1; SMN2CHRM2CHRM4
SCHEMBL20051071 0.85 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608256 0.83 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9876207 0.82 TSHR (0.59) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2612021 0.82 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL11310515 0.82 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL9619897 0.82 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608176 0.82 TSHR (0.69) TSHRHPGDALDH1A1TP53HIF1A

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
US-11345180-B2 Display medium for assessment and method for manufacturing same ZEON CORPORATION (JP) 2022-05-31 US disclosed
US-20190184732-A1 DISPLAY MEDIUM FOR ASSESSMENT AND METHOD FOR MANUFACTURING SAME ZEON CORPORATION (JP) 2019-06-20 US disclosed
US-8454857-B2 Polymerizable liquid crystal compounds, polymerizable liquid crystal compositions, liquid crystalline polymers and optically anisotropic materials ZEON CORPORATION (JP) 2013-06-04 US disclosed
US-8262932-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 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 (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-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 TSHR 4683/4885HPGD 4583/4885ALDH1A1 1445/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885HPGD 4657/4885ALDH1A1 2720/4885

“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.