SCHEMBL2608280

SCHEMBL2608280

C=C(C)C(=O)OCCOC(=O)/C=C/C(=O)OC(C)C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
HCAR2 Q8TDS4 6/20 0.47
TSHR P16473 6/20 0.46
ATM Q13315 1/20 0.39
CA12 O43570 1/20 0.35
AKR1B10 O60218 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
AKR1B1 P15121 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
ALDH1A1 P00352 5/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL2608284 0.94 TSHR (0.51) THRBHCAR2TSHRATMCA12
SCHEMBL1696753 0.88 THRB (0.59) THRBHCAR2TSHRATMALDH1A1
SCHEMBL9155949 0.88 THRB (0.59) THRBHCAR2TSHRATMALDH1A1
SCHEMBL550425 0.88 THRB (0.59) THRBHCAR2TSHRATMALDH1A1
Hydroxyl Radical SCHEMBL28333149 0.86 THRB (0.57) THRBHCAR2TSHRATMALDH1A1
SCHEMBL2608287 0.82 HCAR2 (0.40) THRBHCAR2TSHRCA12AKR1B10
SCHEMBL2608282 0.81 HCAR2 (0.42) HCAR2TSHRATMCA12AKR1B10
SCHEMBL2608260 0.81 TSHR (0.53) THRBHCAR2TSHRATMCA12
SCHEMBL5082364 0.81 HCAR2 (0.58) THRBHCAR2TSHRATMALDH1A1
SCHEMBL698817 0.81 HCAR2 (0.58) THRBHCAR2TSHRATMALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8262932-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-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 THRB 4128/4885HCAR2 4232/4885TSHR 4683/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 THRB 4283/4885HCAR2 4232/4885TSHR 4760/4885

“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.