SCHEMBL21392010

SCHEMBL21392010

C=CC(=O)OCC(CCCCCCC)(COC(=O)C=C)COC(=O)C=C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.55
ALDH1A1 P00352 4/20 0.55
TP53 P04637 3/20 0.55
HIF1A Q16665 3/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
HPGD P15428 1/20 0.55
THRB P10828 3/20 0.46
ZDHHC20 Q5W0Z9 1/20 0.40
ZDHHC2 Q9UIJ5 1/20 0.40
THRA P10827 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL1726726 0.92 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL268415 0.86 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL4096763 0.86 TSHR (0.55) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL17523144 0.85 ALDH1A1 (0.62) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15774151 0.85 TSHR (0.68) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL21166449 0.85 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL22420109 0.85 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL19363658 0.85 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL15774165 0.85 TSHR (0.68) TSHRALDH1A1TP53HIF1ACYP3A4
SCHEMBL18737331 0.85 TSHR (0.53) TSHRALDH1A1TP53HIF1ACYP3A4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same JNC CORPORATION (JP) 2020-12-15 US disclosed
US-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium JNC CORPORATION (JP) 2020-09-29 US disclosed
US-20190292462-A1 LIQUID CRYSTAL DISPLAY DEVICE INCLUDING LIQUID CRYSTAL MEDIUM CONTAINING LOW MOLECULAR WEIGHT POLAR COMPOUND FOR HOMOGENEOUSLY ALIGNING LIQUID CRYSTAL MEDIUM JNC CORPORATION (JP) 2019-09-26 US disclosed
US-20190292455-A1 LOW MOLECULAR WEIGHT POLAR COMPOUND FOR HOMOGENEOUSLY ALIGNING LIQUID CRYSTAL MEDIUM, AND LIQUID CRYSTAL MEDIUM CONTAINING SAME 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 (3 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-10787608-B2 Liquid crystal display device including liquid crystal medium containing low molecular weight polar compound for homogeneously aligning liquid crystal medium ACP1, MAPK1, PLD1 TSHR 4292/4885ALDH1A1 4001/4885TP53 4494/4885
US-20190292462-A1 LIQUID CRYSTAL DISPLAY DEVICE INCLUDING LIQUID CRYSTAL MEDIUM CONTAINING LOW MOLECULAR WEIGHT POLAR COMPOUND FOR HOMOGENEOUSLY ALIGNING LIQUID CRYSTAL MEDIUM ACP1, MAPK1, PLD1 TSHR 4292/4885ALDH1A1 4001/4885TP53 4494/4885
US-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same ACP1, MFAP1, PHOSPHO1 TSHR 4736/4885ALDH1A1 4483/4885TP53 4260/4885

“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.