SCHEMBL22099042

SCHEMBL22099042

C=CC(=O)OCCCCOc1ccc(/C=C/C(=O)Oc2ccc(OCCOC(=O)C(=C)CO)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
CA5A P35218 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
CA5B Q9Y2D0 2/20 0.39
APP P05067 4/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL22099068 1.00 THRB (0.47) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099470 0.99 THRB (0.46) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099034 0.98 THRB (0.47) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099033 0.98 THRB (0.47) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099216 0.98 THRB (0.47) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099219 0.98 THRB (0.47) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099016 0.98 THRB (0.43) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099469 0.98 THRB (0.43) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099147 0.97 THRB (0.44) THRBLMNASMN1; SMN2CA12CA1
SCHEMBL22099452 0.97 THRB (0.42) 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.