SCHEMBL19796323

SCHEMBL19796323

C=C(C)C(=O)OCCCc1cc(CO)ccc1-c1ccc(CCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
THRB P10828 4/20 0.37
RARB P10826 3/20 0.35
THRA P10827 1/20 0.34
MCL1 Q07820 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
PTPN11 Q06124 1/20 0.32
ACACB O00763 1/20 0.32
ACACA Q13085 1/20 0.32
ALOX5 P09917 1/20 0.32
FAAH O00519 1/20 0.32
PPARA Q07869 1/20 0.31
AGTR2 P50052 1/20 0.31

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
SCHEMBL19796318 0.93 THRB (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19796337 0.92 TSHR (0.41) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19796346 0.91 TSHR (0.40) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19796409 0.91 TSHR (0.42) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19804100 0.90 CA1 (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19796419 0.88 THRB (0.38) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19796316 0.87 FFAR4 (0.36) THRBRARBTHRAMCL1ACACB
SCHEMBL19796417 0.87 POLB (0.46) TSHRPOLBAPEX1HTTTDP1
SCHEMBL19796786 0.87 TSHR (0.41) TSHRTHRBRARBTHRAALDH1A1
SCHEMBL19796423 0.85 TSHR (0.38) TSHRPOLBAPEX1HTTTDP1

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 2 patents. 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
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 4195/4885POLB 3105/4885APEX1 1385/4885

“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.