SCHEMBL19854058

SCHEMBL19854058

C=C(C)C(=O)OCC(CO)CC1CCC2CC(CCC3CCC(CCCCC)CC3)CCC2C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.36
DRD3 P35462 1/20 0.32
SLC6A3 Q01959 1/20 0.32
TP53 P04637 1/20 0.31
TLR4 O00206 2/20 0.31
PKM P14618 1/20 0.31
MEN1 O00255 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL19855865 0.96 TSHR (0.36) TSHRDRD3SLC6A3TP53TLR4
SCHEMBL21398465 0.92 TSHR (0.39) TSHRTP53TLR4PKMMEN1
SCHEMBL19856295 0.91 TSHR (0.40) TSHRDRD3SLC6A3TP53TLR4
SCHEMBL19853818 0.91 TSHR (0.40) TSHRDRD3SLC6A3TP53TLR4
SCHEMBL19855736 0.91 TSHR (0.41) TSHRDRD3SLC6A3TP53PKM
SCHEMBL19854787 0.91 TSHR (0.34) TSHR
SCHEMBL19854126 0.90 TSHR (0.42) TSHRDRD3SLC6A3TP53PKM
SCHEMBL19855637 0.87 TSHR (0.34) TSHRTLR4MAPT
SCHEMBL21398587 0.86 TSHR (0.37) TSHRTP53PKMMEN1HTT
SCHEMBL21398554 0.85 SPHK1 (0.34) MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 US disclosed
US-20190292463-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-09-26 US disclosed
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 WO 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-20190292463-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, PYM1, MPEG1 TSHR 3095/4885DRD3 341/4885SLC6A3 3134/4885

“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.