SCHEMBL19796945

SCHEMBL19796945

C=C(C)C(=O)OCCOc1cc(CCCCC)ccc1-c1ccc(-c2ccc(CCCO)c(CC)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HTT P42858 3/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 2/20 0.36
THRB P10828 2/20 0.36
PTPN1 P18031 1/20 0.36
PTPN6 P29350 1/20 0.36
PTPN11 Q06124 1/20 0.36
APAF1 O14727 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RARB P10826 8/20 0.35
RARA P10276 2/20 0.35
RARG P13631 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
RAD52 P43351 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LTB4R Q15722 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
SCHEMBL19796808 0.91 RARB (0.39) TSHRHTTMAPTMAPK1THRB
SCHEMBL19796874 0.90 THRA (0.42) TSHRMAPTMAPK1THRBPTPN1
SCHEMBL19796608 0.88 CNR2 (0.38) TSHRTHRBPTPN1PTPN6PTPN11
SCHEMBL17070455 0.88 RARB (0.36) TSHRHTTMAPTMAPK1THRB
SCHEMBL19796581 0.87 TSHR (0.38) TSHRHTTMAPTMAPK1THRB
SCHEMBL19796603 0.87 CNR2 (0.42) TSHRMAPTMAPK1THRBPTPN1
SCHEMBL19796607 0.86 RARB (0.43) TSHRHTTMAPTMAPK1THRB
SCHEMBL19796684 0.86 CNR2 (0.41) TSHRMAPTMAPK1THRBPTPN1
SCHEMBL19796415 0.85 TSHR (0.37) TSHRHTTMAPK1THRBRARB
SCHEMBL19796807 0.85 RARB (0.45) TSHRMAPTMAPK1THRBPTPN1

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 TSHR 4195/4885HTT 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.