SCHEMBL21074609

SCHEMBL21074609

C=C(CO)C(=O)Oc1ccc(C2(c3ccc(OC(=O)C(=C)CO)cc3)CCC(C3CCC(CCc4ccc(CCCCC)cc4)CC3)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 8/20 0.41
▸ THRA P10827 6/20 0.38
▸ FAAH O00519 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ SLCO1B3 Q9NPD5 1/20 0.31
▸ SLCO1B1 Q9Y6L6 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ SPHK1 Q9NYA1 1/20 0.31
▸ DDB1 Q16531 1/20 0.31
▸ CRBN Q96SW2 1/20 0.31
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 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
SCHEMBL21074610 0.92 THRB (0.42) THRBTHRAFAAHALDH1A1MEN1
SCHEMBL21074619 0.91 LSS (0.33) THRBMEN1KMT2AITGB3ITGA2B
SCHEMBL21074598 0.89 SPHK1 (0.41) THRBTHRASPHK1
SCHEMBL19755082 0.88 THRB (0.43) THRBTHRACYP3A4ITGB3ITGA2B
SCHEMBL21074623 0.87 THRB (0.38) THRBTHRAFAAHOPRM1ITGB3
SCHEMBL21074607 0.85 SPHK1 (0.32) SPHK1
SCHEMBL21074588 0.85 LSS (0.34) THRBMEN1KMT2AITGB3ITGA2B
SCHEMBL21074636 0.83 THRB (0.34) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL21074651 0.83 THRB (0.42) THRBTHRAALDH1A1MEN1KMT2A
SCHEMBL21074650 0.81 ADORA3 (0.37) ALDH1A1MEN1KMT2ALMNASMN1; SMN2

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
EP-3495343-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC Corporation (JP) 2019-06-12 — — EP disclosed
US-20190169502-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC CORPORATION (JP) 2019-06-06 — — 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-20190169502-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE PLD1, AP3D1, CCND1 THRB 4725/4885THRA 4737/4885FAAH 2975/4885

“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.

Send feedback