SCHEMBL21391883

SCHEMBL21391883

C=CC(=O)OCC(C)(CC)CCCCCCCC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.50
HPGD P15428 1/20 0.50
THRB P10828 3/20 0.43
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
CYP3A4 P08684 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
THRA P10827 1/20 0.37
ZDHHC20 Q5W0Z9 1/20 0.37
ZDHHC2 Q9UIJ5 1/20 0.37
HCAR2 Q8TDS4 1/20 0.35

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
SCHEMBL18857424 1.00 TSHR (0.50) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL18737324 0.94 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL21166449 0.94 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL29038886 0.94 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL18737331 0.94 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL20927039 0.92 TSHR (0.51) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL18469789 0.92 TSHR (0.51) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL19240599 0.91 TSHR (0.50) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL24690505 0.90 TSHR (0.53) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL27948433 0.89 TSHR (0.51) TSHRHPGDTHRBALDH1A1TP53

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 4292/4885HPGD 4460/4885THRB 4567/4885
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 4292/4885HPGD 4460/4885THRB 4567/4885
US-10865344-B2 Low molecular weight polar compound for homogeneously aligning liquid crystal medium, and liquid crystal medium containing same ACP1, MFAP1, PHOSPHO1 TSHR 4736/4885HPGD 4734/4885THRB 4802/4885

“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.