SCHEMBL22099447

SCHEMBL22099447

C=CC(=O)OCCCCCCOc1ccc(/C=C/C(=O)Oc2ccc(OC(=O)OCCCCOC(=O)C(=C)CO)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
APP P05067 6/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.36
PPARA Q07869 1/20 0.35
ALB P02768 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL22099126 0.97 THRB (0.37) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099229 0.96 THRB (0.38) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099118 0.96 THRB (0.42) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099452 0.96 THRB (0.42) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099497 0.96 THRB (0.42) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099131 0.96 THRB (0.42) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099460 0.95 THRB (0.41) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099469 0.95 THRB (0.43) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099016 0.95 THRB (0.43) THRBAPPALDH1A1CYP3A4TSHR
SCHEMBL22099455 0.94 THRB (0.42) THRBAPPALDH1A1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200190016-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2020-06-18 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-20200190016-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CNTN1, HVCN1, PKN1 THRB 4634/4885APP 165/4885ALDH1A1 1526/4885

“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.