SCHEMBL10080352

SCHEMBL10080352

C=CC(=O)OCCNC(=O)CCC(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 5/20 0.43
TP53 P04637 2/20 0.43
HIF1A Q16665 2/20 0.43
CYP3A4 P08684 1/20 0.43
HSD17B10 Q99714 1/20 0.43
LMNA P02545 1/20 0.38
THRB P10828 2/20 0.37
RECQL P46063 1/20 0.37
CNR1 P21554 1/20 0.35
POLB P06746 1/20 0.33
CA12 O43570 1/20 0.33
CA14 Q9ULX7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14996318 0.89 TSHR (0.51) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL12956298 0.85 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2608273 0.85 TSHR (0.40) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16425946 0.83 TSHR (0.50) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL18039596 0.83 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16425942 0.83 TSHR (0.53) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL14509609 0.82 TSHR (0.44) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL16405348 0.81 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL30646054 0.81 TSHR (0.57) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL2611999 0.81 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8454857-B2 Polymerizable liquid crystal compounds, polymerizable liquid crystal compositions, liquid crystalline polymers and optically anisotropic materials ZEON CORPORATION (JP) 2013-06-04 US disclosed
US-8262931-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, polymer and film FUJIFILM CORPORATION (JP) 2012-09-11 US disclosed
US-8158021-B2 Polymerizable liquid crystal compound, polymerizable liquid crystal composition, liquid crystalline polymer, and optical anisotropic article ZEON CORPORATION (JP) 2012-04-17 US disclosed
US-20110233464-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, POLYMER AND FILM FUJIFILM CORPORATION (JP) 2011-09-29 US disclosed
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE ZEON CORPORATION (JP) 2010-10-14 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-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885HPGD 4657/4885ALDH1A1 2720/4885

“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.