SCHEMBL22099508

SCHEMBL22099508

C=CC(=O)OCCOc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(OCCCCOC(=O)C(=C)CO)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CA12 O43570 2/20 0.37
CA1 P00915 2/20 0.37
CA4 P22748 2/20 0.37
CA6 P23280 2/20 0.37
CA5A P35218 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA5B Q9Y2D0 2/20 0.37
APP P05067 4/20 0.36
AKR1B10 O60218 1/20 0.36
AKR1B1 P15121 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
HTT P42858 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
SCHEMBL22099147 1.00 THRB (0.44) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099076 0.99 THRB (0.44) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099125 0.99 THRB (0.44) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099475 0.99 THRB (0.44) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099099 0.98 THRB (0.44) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099224 0.98 THRB (0.44) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099480 0.98 THRB (0.41) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099218 0.97 THRB (0.47) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099068 0.97 THRB (0.47) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099042 0.97 THRB (0.47) THRBLMNASMN1; SMN2CA12CA1

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.