SCHEMBL19796322

SCHEMBL19796322

C=C(C)C(=O)OCCc1cc(CO)ccc1-c1ccc(CCC)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 2/20 0.37
THRB P10828 2/20 0.36
TSHR P16473 2/20 0.35
RARB P10826 1/20 0.32
POLB P06746 1/20 0.32
APEX1 P27695 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MAOA P21397 1/20 0.31
CETP P11597 1/20 0.31
ALDH1A1 P00352 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
GABRA1 P14867 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
SCHEMBL19796351 0.91 CYP4A11 (0.38) VDRTHRBTSHRRARBPOLB
SCHEMBL19804095 0.89 CA1 (0.36) THRBTSHRPOLBAPEX1HTT
SCHEMBL19796369 0.88 TSHR (0.36) VDRTHRBTSHRRARBPOLB
SCHEMBL19796326 0.88 CYP4F2 (0.36) VDRTHRBTSHRRARBPOLB
SCHEMBL19796419 0.87 THRB (0.38) VDRTHRBTSHRRARBPOLB
SCHEMBL19796318 0.87 THRB (0.38) THRBTSHRRARBPOLBAPEX1
SCHEMBL19796356 0.86 POLB (0.38) VDRTHRBTSHRPOLBAPEX1
SCHEMBL19796329 0.86 THRB (0.35) THRBTSHRRARBPOLBAPEX1
SCHEMBL19796409 0.85 TSHR (0.42) VDRTHRBTSHRPOLBAPEX1
SCHEMBL19796410 0.83 CYP4F2 (0.36) VDRTHRBTSHRRARBCNR1

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 VDR 322/4885THRB 4323/4885TSHR 4195/4885

“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.