SCHEMBL21982971

SCHEMBL21982971

C=CC(=O)OCCCCCCOc1ccc(OC(=O)C2CCC(COC)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.41
TSHR P16473 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP3A4 P08684 1/20 0.40
HPGD P15428 3/20 0.39
HTT P42858 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F2 P00734 1/20 0.37
ELANE P08246 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
LSS P48449 1/20 0.34
KCNH2 Q12809 1/20 0.34
GAA P10253 1/20 0.34
PARP15 Q460N3 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP2 Q9UGN5 1/20 0.34

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
SCHEMBL12090760 0.90 THRB (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL16547096 0.90 THRB (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL18876412 0.90 THRB (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL22446246 0.90 THRB (0.50) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL20274052 0.89 THRB (0.43) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL17676836 0.89 THRB (0.45) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL18932637 0.89 THRB (0.45) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL25699760 0.89 THRB (0.45) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL16851770 0.89 THRB (0.45) THRBTSHRALDH1A1CYP3A4HPGD
SCHEMBL18028220 0.89 THRB (0.45) THRBTSHRALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119687-A1 LAMINATE, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2022-04-21 US disclosed
US-20220119688-A1 LAMINATE, LIQUID CRYSTAL DISPLAY DEVICE, AND ORGANIC ELECTROLUMINESCENT DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2022-04-21 US disclosed
US-10968189-B2 Method for producing 2-hydrazinobenzothiazole derivative DIC CORPORATION (JP) 2021-04-06 US disclosed
US-10647662-B2 Polymerizable compound and optically anisotropic body DIC CORPORATION (JP) 2020-05-12 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-10647662-B2 Polymerizable compound and optically anisotropic body RCC1, SMC4, SMCHD1 THRB 4796/4885TSHR 4306/4885ALDH1A1 4138/4885
US-10968189-B2 Method for producing 2-hydrazinobenzothiazole derivative HAO2, IDH2, HACL2 THRB 4136/4885TSHR 4297/4885ALDH1A1 159/4885

“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.