SCHEMBL19796809

SCHEMBL19796809

C=C(C)C(=O)OCc1cc(OCCO)ccc1-c1ccc(-c2ccc(CCCCC)cc2)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 5/20 0.44
RARA P10276 2/20 0.44
RARG P13631 1/20 0.44
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CASP1 P29466 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLCO1B3 Q9NPD5 1/20 0.43
SLCO1B1 Q9Y6L6 1/20 0.43
S1PR1 P21453 2/20 0.41
S1PR3 Q99500 2/20 0.41
PTPN11 Q06124 2/20 0.39
FFAR4 Q5NUL3 3/20 0.38
CNR2 P34972 3/20 0.37
CNR1 P21554 1/20 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
SCHEMBL19796821 0.97 MEN1 (0.49) RARBRARARARGMEN1USP2
SCHEMBL19796815 0.90 RARB (0.43) RARBRARARARGMEN1USP2
SCHEMBL19796875 0.89 MEN1 (0.47) RARBRARARARGMEN1USP2
SCHEMBL19796919 0.89 MEN1 (0.47) RARBRARARARGMEN1USP2
SCHEMBL19796841 0.88 THRB (0.47) RARBRARARARGMEN1USP2
SCHEMBL19796953 0.88 RARB (0.46) RARBRARARARGMEN1USP2
SCHEMBL19796353 0.87 S1PR1 (0.37) ALDH1A1S1PR1S1PR3PTPN11FFAR4
SCHEMBL19796883 0.87 RARB (0.45) RARBRARAMEN1USP2ALDH1A1
SCHEMBL19796860 0.86 RARB (0.47) RARBRARARARGMEN1ALDH1A1
SCHEMBL19803292 0.86 FFAR1 (0.39) RARBRARAMEN1LMNAKMT2A

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.