SCHEMBL2608271

SCHEMBL2608271

C=CC(=O)OCCCCOC(=O)CCC(=O)OC(C)C

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 1/20 0.56
HPGD P15428 1/20 0.51
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 2/20 0.42
THRB P10828 2/20 0.37
HTR2C P28335 1/20 0.37
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34
NAAA Q02083 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DGKA P23743 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
SCHEMBL2608259 0.93 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2608173 0.92 TSHR (0.58) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2608200 0.90 TSHR (0.61) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL820628 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL26093280 0.86 TSHR (0.75) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2608275 0.84 TSHR (0.46) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10493413 0.82 TSHR (0.68) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL10080348 0.81 TSHR (0.62) TSHRALDH1A1CYP3A4HPGDTP53
SCHEMBL2608272 0.81 ZDHHC20 (0.46) TSHRALDH1A1CYP3A4LMNATDP1
SCHEMBL2467554 0.81 TSHR (0.72) TSHRALDH1A1CYP3A4HPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11518916-B2 Lens adhesive, cemented lens, and imaging module FUJIFILM CORPORATION (JP) 2022-12-06 US disclosed
US-20200325367-A1 LENS ADHESIVE, CEMENTED LENS, AND IMAGING MODULE FUJIFILM CORPORATION (JP) 2020-10-15 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-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-20110237768-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-20200325367-A1 LENS ADHESIVE, CEMENTED LENS, AND IMAGING MODULE SP1, SPOP, SMC2 TSHR 3621/4885ALDH1A1 2380/4885CYP3A4 4449/4885
US-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 TSHR 4683/4885ALDH1A1 1445/4885CYP3A4 2338/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885ALDH1A1 2720/4885CYP3A4 2218/4885
US-11518916-B2 Lens adhesive, cemented lens, and imaging module SP1, SPOP, SMC2 TSHR 3621/4885ALDH1A1 2380/4885CYP3A4 4449/4885
US-20110237768-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM SCO2, NR0B2, NR0B1 TSHR 2025/4885ALDH1A1 4245/4885CYP3A4 2502/4885

“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.