SCHEMBL2612366

SCHEMBL2612366

C=C(C)C(=O)OCCCCOC(=O)/C=C/C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.56
ATM Q13315 1/20 0.48
HCAR2 Q8TDS4 6/20 0.46
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
THRB P10828 1/20 0.44
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
APEX1 P27695 1/20 0.43
HTT P42858 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 2/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.38
KDM4E B2RXH2 2/20 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
SCHEMBL2612369 0.93 THRB (0.52) TSHRATMHCAR2KEAP1NFE2L2
SCHEMBL2530701 0.93 TSHR (0.63) TSHRATMHCAR2THRBTDP1
SCHEMBL9157575 0.89 TSHR (0.58) TSHRATMHCAR2THRBTDP1
SCHEMBL9157602 0.89 TSHR (0.58) TSHRATMHCAR2THRBTDP1
SCHEMBL957658 0.89 TSHR (0.58) TSHRATMHCAR2THRBTDP1
SCHEMBL195182 0.86 HCAR2 (0.64) TSHRATMHCAR2THRBTDP1
SCHEMBL550425 0.85 THRB (0.59) TSHRATMHCAR2THRBTDP1
SCHEMBL9155949 0.85 THRB (0.59) TSHRATMHCAR2THRBTDP1
SCHEMBL1696753 0.85 THRB (0.59) TSHRATMHCAR2THRBTDP1
SCHEMBL29076912 0.85 TSHR (0.80) TSHRATMHCAR2THRBTDP1

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 3 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-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-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 (1 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-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885ATM 2814/4885HCAR2 4232/4885

“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.