SCHEMBL19796396

SCHEMBL19796396

C=C(C)C(=O)OCCOc1cc(-c2ccc(CCCCC)cc2F)c(OCCOC(=O)C(=C)C)cc1CCCO

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 2/20 0.39
HTT P42858 3/20 0.38
MAPT P10636 3/20 0.38
MAPK1 P28482 3/20 0.38
APAF1 O14727 2/20 0.38
THRB P10828 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
RAD52 P43351 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TSHR P16473 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
BLM P54132 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL17070465 0.89 HTT (0.40) RARBHTTMAPTMAPK1APAF1
SCHEMBL19796398 0.89 HTT (0.41) HTTMAPTMAPK1APAF1THRB
SCHEMBL19796605 0.88 RARB (0.44) RARBHTTMAPTMAPK1APAF1
SCHEMBL17070435 0.87 HTT (0.38) RARBHTTMAPTMAPK1APAF1
SCHEMBL19796352 0.87 RARB (0.36) RARBHTTTHRBTSHRPOLB
SCHEMBL17070455 0.86 RARB (0.36) RARBHTTMAPTMAPK1APAF1
SCHEMBL19796807 0.85 RARB (0.45) RARBMAPTMAPK1THRBMEN1
SCHEMBL19797089 0.85 RARB (0.41) RARBMAPK1THRBMEN1KMT2A
SCHEMBL19624436 0.84 RARB (0.46) RARBMAPK1THRBMEN1KMT2A
SCHEMBL19804264 0.84 SLC6A9 (0.37) HTTTHRBL3MBTL1KDM4EPOLB

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 RARB 3517/4885HTT 4544/4885MAPT 2308/4885

“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.