SCHEMBL19796629

SCHEMBL19796629

C=C(C)C(=O)OCCc1cc(-c2ccc(-c3ccc(CCCCC)cc3)c(F)c2)ccc1OCCO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.48
RARA P10276 1/20 0.43
RARG P13631 1/20 0.43
PPARD Q03181 2/20 0.39
S1PR1 P21453 4/20 0.39
MAPK1 P28482 3/20 0.38
HTT P42858 3/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
APAF1 O14727 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
CASP1 P29466 1/20 0.38
SLCO1B3 Q9NPD5 1/20 0.38

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
SCHEMBL19796624 0.98 RARB (0.46) RARBRARARARGPPARDS1PR1
SCHEMBL19796636 0.94 RARB (0.46) RARBRARARARGPPARDS1PR1
SCHEMBL19624585 0.92 RARB (0.42) RARBRARARARGPPARDS1PR1
SCHEMBL22540486 0.92 RARB (0.43) RARBRARARARGPPARDS1PR1
SCHEMBL19796621 0.92 HTT (0.42) RARBRARARARGMAPK1HTT
SCHEMBL19796635 0.91 RARB (0.44) RARBRARARARGPPARDS1PR1
SCHEMBL19797009 0.91 RARB (0.46) RARBRARARARGPPARDS1PR1
SCHEMBL19796615 0.91 RARB (0.46) RARBRARARARGPPARDS1PR1
SCHEMBL17070363 0.91 CNR2 (0.39) RARBRARARARGMAPK1HTT
SCHEMBL19796256 0.91 THRB (0.44) RARBRARARARGMAPK1HTT

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 3517/4885RARA 3585/4885RARG 3736/4885

“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.