SCHEMBL21074651

SCHEMBL21074651

C=C(CO)C(=O)Oc1ccc(C2(c3ccc(OC(=O)C(=C)CO)cc3)CCC(c3ccc(-c4ccc(CCCCC)cc4)cc3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.42
▸ SPHK1 Q9NYA1 10/20 0.40
▸ THRA P10827 1/20 0.38
▸ RARB P10826 5/20 0.37
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RARA P10276 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SPHK2 Q9NRA0 4/20 0.36

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
SCHEMBL21074598 0.92 SPHK1 (0.41) THRBSPHK1THRAFFAR4SPHK2
SCHEMBL21074601 0.91 FFAR4 (0.38) THRBSPHK1THRARARBFFAR4
SCHEMBL21074610 0.89 THRB (0.42) THRBTHRARARBMEN1ALDH1A1
SCHEMBL21074600 0.85 CYP2C9 (0.38) MEN1ALDH1A1MAPTKMT2A
SCHEMBL21074599 0.84 CNR2 (0.33) THRBMEN1ALDH1A1KMT2A
SCHEMBL21074603 0.84 CYP2C9 (0.37) MEN1ALDH1A1MAPTKMT2A
SCHEMBL19722398 0.83 THRB (0.58) THRBTHRARARBMEN1ALDH1A1
SCHEMBL19721952 0.83 THRB (0.58) THRBTHRARARBMEN1ALDH1A1
SCHEMBL21074609 0.83 THRB (0.41) THRBSPHK1THRAMEN1ALDH1A1
SCHEMBL21074684 0.82 PPARG (0.32) THRBSPHK1

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 4725/4885SPHK1 362/4885THRA 4737/4885

“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