SCHEMBL2608291

SCHEMBL2608291

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.40
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.38
LMNA P02545 3/20 0.35
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
EPHX2 P34913 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
HTT P42858 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 1/20 0.31
CYP2C19 P33261 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
SCHEMBL2608288 0.91 TSHR (0.44) TSHRMAPTTHRBLMNAALDH1A1
SCHEMBL16309307 0.86 THRB (0.48) TSHRTHRBALDH1A1MEN1KMT2A
SCHEMBL10081661 0.85 THRB (0.42) TSHRTHRBLMNAALDH1A1HTT
SCHEMBL2608279 0.82 THRB (0.49) TSHRMAPTTHRBLMNAALDH1A1
SCHEMBL12259945 0.81 TSHR (0.50) TSHRMAPTTHRBLMNAALDH1A1
SCHEMBL4917590 0.81 THRB (0.47) TSHRTHRBALDH1A1SMN1; SMN2MEN1
SCHEMBL2608292 0.81 MAPT (0.41) TSHRMAPTLMNAALDH1A1EPHX2
SCHEMBL18649978 0.80 SMN1; SMN2 (0.47) TSHRMAPTTHRBLMNAALDH1A1
SCHEMBL16425945 0.80 THRB (0.47) TSHRMAPTTHRBALDH1A1EPHX2
SCHEMBL18039471 0.80 THRB (0.43) TSHRTHRBALDH1A1HTT

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-11345180-B2 Display medium for assessment and method for manufacturing same ZEON CORPORATION (JP) 2022-05-31 US disclosed
US-20190184732-A1 DISPLAY MEDIUM FOR ASSESSMENT AND METHOD FOR MANUFACTURING SAME ZEON CORPORATION (JP) 2019-06-20 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-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS ZEON CORPORATION (JP) 2011-06-16 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 (2 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-20110140041-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS AND OPTICALLY ANISOTROPIC MATERIALS CCNB1, CCNT1, CCNB2 TSHR 4683/4885MAPT 303/4885THRB 4128/4885
US-20100258764-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, POLYMERIZABLE LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTALLINE POLYMER, AND OPTICAL ANISOTROPIC ARTICLE LEO1, ZYX, CCNT1 TSHR 4760/4885MAPT 252/4885THRB 4283/4885

“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.