SCHEMBL19796409

SCHEMBL19796409

C=C(C)C(=O)OCCCc1cc(CCC)ccc1-c1ccc(CO)cc1CC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
TDP1 Q9NUW8 2/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
HTT P42858 1/20 0.37
THRB P10828 3/20 0.37
VDR P11473 2/20 0.34
THRA P10827 1/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
ALDH1A1 P00352 2/20 0.31
MAOA P21397 1/20 0.31
AKT1 P31749 1/20 0.31
LTB4R Q15722 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
CYP4F2 P78329 1/20 0.30
CYP4A11 Q02928 1/20 0.30
AGTR1 P30556 1/20 0.30
AGTR2 P50052 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
SCHEMBL19796323 0.91 TSHR (0.42) TSHRTDP1POLBAPEX1HTT
SCHEMBL19804015 0.90 TSHR (0.38) TSHRTDP1POLBAPEX1HTT
SCHEMBL19796786 0.87 TSHR (0.41) TSHRTHRBTHRAALDH1A1
SCHEMBL19804175 0.86 POLB (0.36) TSHRTDP1POLBAPEX1HTT
SCHEMBL19796322 0.85 VDR (0.37) TSHRTDP1POLBAPEX1HTT
SCHEMBL19796337 0.85 TSHR (0.41) TSHRTDP1POLBAPEX1HTT
SCHEMBL19796413 0.85 TSHR (0.39) TSHRTDP1POLBAPEX1HTT
SCHEMBL19796346 0.84 TSHR (0.40) TSHRTDP1POLBAPEX1HTT
SCHEMBL19796326 0.84 CYP4F2 (0.36) TSHRTDP1POLBAPEX1HTT
SCHEMBL17484392 0.84 TSHR (0.40) TSHRTDP1POLBAPEX1HTT

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 4195/4885TDP1 1951/4885POLB 3105/4885

“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.