SCHEMBL19797155

SCHEMBL19797155

C=C(C)C(=O)OCc1cc2cc(-c3ccc(-c4ccc(CCCCC)cc4COC(=O)C(=C)C)cc3)ccc2cc1OCCO

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
RARB P10826 6/20 0.34
MAPK1 P28482 2/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLCO1B3 Q9NPD5 1/20 0.34
SLCO1B1 Q9Y6L6 1/20 0.34
THRB P10828 3/20 0.33
CNR2 P34972 2/20 0.33
THRA P10827 1/20 0.33
CNR1 P21554 1/20 0.33
RARA P10276 1/20 0.33

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
SCHEMBL19797154 0.92 RARB (0.34) PTPN11PTPN1PTPN6RARBMAPK1
SCHEMBL19624680 0.88 MEN1 (0.43) PTPN11RARBMAPK1MEN1USP2
SCHEMBL19796366 0.85 RARB (0.38) RARBMEN1ALDH1A1KMT2ATHRB
SCHEMBL19624483 0.85 KDM4E (0.34) RARBMAPK1MEN1ALDH1A1KMT2A
SCHEMBL19796875 0.85 MEN1 (0.47) PTPN11RARBMAPK1MEN1USP2
SCHEMBL19796919 0.85 MEN1 (0.47) PTPN11RARBMAPK1MEN1USP2
SCHEMBL19796616 0.84 RARB (0.39) PTPN11PTPN1PTPN6RARBMAPK1
SCHEMBL19796625 0.84 RARB (0.39) PTPN11PTPN1PTPN6RARBMAPK1
SCHEMBL19796612 0.83 PTPN11 (0.42) PTPN11PTPN1PTPN6RARBMAPK1
SCHEMBL19804591 0.82 SLC6A9 (0.36) RARBRARARARGFFAR4

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 PTPN11 2304/4885PTPN1 1016/4885PTPN6 2318/4885

“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.