SCHEMBL19009924

SCHEMBL19009924

C=C(C)C(=O)OCCOCCOc1ccc(C2(c3ccc(OCCOCCOC(=O)C(=C)C)c(OCCOCCOC(=O)C(=C)C)c3)c3ccccc3-c3ccccc32)cc1OCCOCCOC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
LMNA P02545 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
KMT2A Q03164 4/20 0.33
POLB P06746 3/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
USP2 O75604 1/20 0.33
PTK2B Q14289 1/20 0.33
MEN1 O00255 3/20 0.33
CASP6 P55212 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CA1 P00915 1/20 0.32

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
SCHEMBL819025 0.97 ESR1 (0.39) THRBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL20110391 0.94 KDM4E (0.34) THRBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL21829175 0.92 POLB (0.41) THRBSMN1; SMN2LMNAESR1ESR2
SCHEMBL2231834 0.88 ESR1 (0.46) THRBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL4948908 0.87 ESR1 (0.37) THRBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL29499719 0.86 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2ESR1ESR2
SCHEMBL2230816 0.86 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2ESR1ESR2
SCHEMBL29499715 0.86 KDM4E (0.40) ALDH1A1KDM4ESMN1; SMN2ESR1ESR2
SCHEMBL14889149 0.85 POLB (0.45) THRBALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL6321833 0.85 PPARG (0.36) THRBESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180163135-A1 LIQUID CRYSTAL POLYMERIZED FILMS USING ALIGNMENT FILM AND POLYMERIZABLE LIQUID CRYSTAL COMPOSTION JNC CORPORATION (JP) 2018-06-14 US disclosed
US-20180079957-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUNDS, POLYMERIZABLE LIQUID CRYSTAL COMPOSITIONS, LIQUID CRYSTALLINE POLYMERS, PHASE DIFFERENCE FILM AND DISPLAY DEVICE JNC CORPORATION (JP) 2018-03-22 US disclosed
US-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF JNC CORPORATION (JP) 2017-06-22 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-20170174992-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOUND, COMPOSITION, LIQUID CRYSTAL POLYMERIZATION FILM-KIND THEREOF AND USE THEREOF RCC1, CHRM1, PFN1 THRB 4867/4885ALDH1A1 2853/4885KDM4E 2326/4885

“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.