SCHEMBL22099229

SCHEMBL22099229

C=CC(=O)OCCCCOC(=O)Oc1ccc(-c2ccc(/C=C/C(=O)Oc3ccc(OCCCCOC(=O)C(=C)CO)cc3)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
LMNA P02545 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
APP P05067 4/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
PPARA Q07869 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 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
SCHEMBL22099126 0.99 THRB (0.37) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL22099447 0.96 THRB (0.39) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL22099480 0.96 THRB (0.41) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL22099238 0.95 THRB (0.40) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL22099149 0.94 THRB (0.39) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL22099508 0.94 THRB (0.44) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL22099147 0.94 THRB (0.44) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL22099021 0.94 THRB (0.39) THRBLMNASMN1; SMN2TDP1POLB
SCHEMBL22099086 0.94 THRB (0.41) THRBLMNASMN1; SMN2APPKMT2A
SCHEMBL22099496 0.94 KMT2A (0.38) THRBLMNASMN1; SMN2APPKMT2A

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 4634/4885LMNA 1204/4885SMN1; SMN2 2884/4885

“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.