SCHEMBL19804276

SCHEMBL19804276

C=C(C)C(=O)OCCCc1cc(-c2ccc(-c3ccccc3F)cc2)ccc1CO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SLC6A9 P48067 1/20 0.36
TSHR P16473 3/20 0.36
MEN1 O00255 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NPSR1 Q6W5P4 1/20 0.34
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
PPARG P37231 1/20 0.34
PPARA Q07869 1/20 0.34
GRIA4 P48058 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
SCHEMBL19804047 0.93 SLC6A9 (0.36) ALDH1A1MAPTL3MBTL1SLC6A9TSHR
SCHEMBL19804318 0.93 SLC6A9 (0.36) ALDH1A1MAPTL3MBTL1SLC6A9TSHR
SCHEMBL19804223 0.92 PTGS1 (0.36) MAPTSLC6A9TSHRMEN1KMT2A
SCHEMBL19804407 0.90 TDP1 (0.41) MAPTSLC6A9TSHRPOLBAPEX1
SCHEMBL19804339 0.88 MAPT (0.39) ALDH1A1MAPTL3MBTL1SLC6A9TSHR
SCHEMBL19804373 0.88 SLC6A9 (0.42) ALDH1A1MAPTL3MBTL1SLC6A9POLB
SCHEMBL19804107 0.85 CA1 (0.39) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19804372 0.85 POLB (0.37) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19804370 0.85 PTGS1 (0.39) MAPTSLC6A9TSHRMEN1KMT2A
SCHEMBL19804378 0.85 PTGS1 (0.36) MAPTSLC6A9TSHRMEN1KMT2A

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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2018-01-25 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-20180023001-A1 COMPOUND HAVING POLYMERIZABLE GROUP, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE SP1, C1S, AP3D1 ALDH1A1 2472/4885MAPT 2308/4885L3MBTL1 783/4885

“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.