SCHEMBL21398449

SCHEMBL21398449

C=C(C)C(=O)OCCC(CCO)C1CCC(C2CCC(CCCCc3ccc(CCCCC)cc3)CC2)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.37
▸ THRA P10827 2/20 0.37
▸ TSHR P16473 2/20 0.36
▸ ITGB3 P05106 2/20 0.36
▸ ITGA2B P08514 2/20 0.36
▸ SPHK1 Q9NYA1 5/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.35
▸ S1PR1 P21453 5/20 0.32
▸ S1PR3 Q99500 4/20 0.32
▸ S1PR4 O95977 3/20 0.32
▸ S1PR5 Q9H228 3/20 0.32
▸ S1PR2 O95136 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 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
▸ KMT2A Q03164 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
SCHEMBL21398436 0.93 THRB (0.36) THRBTHRATSHRITGB3ITGA2B
SCHEMBL19856153 0.89 ITGB3 (0.37) THRBTHRAITGB3ITGA2BSPHK1
SCHEMBL19855704 0.88 TSHR (0.41) THRBTSHR
SCHEMBL19853948 0.88 THRA (0.34) THRBTHRATSHRITGB3ITGA2B
SCHEMBL19853934 0.88 ITGB3 (0.37) THRBTHRAITGB3ITGA2BSPHK1
SCHEMBL19856237 0.86 S1PR3 (0.46) S1PR1S1PR3S1PR4S1PR5CYP3A4
SCHEMBL19855730 0.84 TSHR (0.44) THRBTSHRMEN1KMT2A
SCHEMBL20882323 0.84 ITGB3 (0.39) THRBTHRATSHRITGB3ITGA2B
SCHEMBL19856259 0.84 SPHK1 (0.36) SPHK1SPHK2ALDH1A1LMNA
SCHEMBL19856195 0.83 SPHK1 (0.41) THRBTHRATSHRSPHK1SPHK2

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-20210214615-A1 LIQUID CRYSTAL DISPLAY DEVICE AND DISPLAY UNIT JNC CORPORATION (JP) 2021-07-15 — — US disclosed
US-20190292463-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC CORPORATION (JP) 2019-09-26 — — 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-20190292463-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT SP1, PYM1, MPEG1 THRB 4130/4885THRA 3628/4885TSHR 3095/4885

“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.

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