SCHEMBL19796522

SCHEMBL19796522

C=C(C)C(=O)OCCOc1cc(-c2ccc(-c3ccc(CCCCC)cc3C)cc2)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 11/20 0.44
TSHR P16473 2/20 0.37
PTPN11 Q06124 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
MAPT P10636 3/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 2/20 0.36
RAD52 P43351 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 2/20 0.35
THRA P10827 1/20 0.35
RARA P10276 2/20 0.35
RARG P13631 1/20 0.35
PPARD Q03181 1/20 0.35
APAF1 O14727 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL19796523 0.95 RARB (0.46) RARBTSHRPTPN11PTPN1PTPN6
SCHEMBL19796565 0.94 RARB (0.44) RARBTSHRPTPN11PTPN1PTPN6
SCHEMBL19796607 0.93 RARB (0.43) RARBTSHRPTPN11PTPN1PTPN6
SCHEMBL19796519 0.91 THRA (0.43) RARBTSHRPTPN11PTPN1PTPN6
SCHEMBL19796224 0.91 RARB (0.36) RARBTSHRTHRBPPARD
SCHEMBL19796646 0.90 RARB (0.45) RARBTSHRPTPN11PTPN1PTPN6
SCHEMBL19796560 0.89 RARB (0.45) RARBTSHRPTPN11PTPN1PTPN6
SCHEMBL19796525 0.89 RARB (0.38) RARBTSHRPTPN11PTPN1PTPN6
SCHEMBL19796606 0.88 RARB (0.45) RARBTSHRTHRBTHRARARA
SCHEMBL19796520 0.87 RARB (0.47) RARBTSHRPTPN11PTPN1PTPN6

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 3517/4885TSHR 4195/4885PTPN11 2304/4885

“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.