SCHEMBL19796932

SCHEMBL19796932

C=C(C)C(=O)OCCOc1cc(-c2ccc(CCCCC)cc2)cc(COC(=O)C(=C)C)c1-c1ccc(CCCO)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 2/20 0.37
RARB P10826 10/20 0.37
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
RARA P10276 2/20 0.36
MAPT P10636 1/20 0.36
MTOR P42345 1/20 0.36
USP2 O75604 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
RARG P13631 1/20 0.35
PTPN1 P18031 1/20 0.34

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
SCHEMBL19804685 0.92 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL19796478 0.89 TSHR (0.33) THRATHRBTSHRMEN1ALDH1A1
SCHEMBL19796974 0.88 THRA (0.42) THRATHRBTSHRRARBMEN1
SCHEMBL19796981 0.88 TSHR (0.38) THRATHRBTSHRRARBMEN1
SCHEMBL19804233 0.88 CA1 (0.35) THRBPDE4APDE4BPDE4CPDE4D
SCHEMBL19796479 0.87 THRB (0.43) THRATHRBTSHRRARBMEN1
SCHEMBL19007862 0.86 THRA (0.42) THRATHRBTSHRRARBMEN1
SCHEMBL19796603 0.85 CNR2 (0.42) THRATHRBTSHRRARBMEN1
SCHEMBL19796684 0.85 CNR2 (0.41) THRATHRBTSHRRARBMEN1
SCHEMBL19796874 0.84 THRA (0.42) THRATHRBTSHRRARBMEN1

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 THRA 4376/4885THRB 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.