SCHEMBL1509971

SCHEMBL1509971

CCOc1ccc(OCOC)c(C=O)c1F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
ALDH1A1 P00352 7/20 0.36
HTT P42858 2/20 0.35
GAA P10253 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 1/20 0.35
TUBB1 Q9H4B7 1/20 0.34
TACR2 P21452 1/20 0.33
MAPT P10636 3/20 0.33
BACE1 P56817 2/20 0.33
KDM4E B2RXH2 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 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
SCHEMBL27140861 1.00 LMNA (0.38) LMNAALDH1A1HTTGAAL3MBTL1
SCHEMBL27142802 0.87 ALDH1A1 (0.40) ALDH1A1L3MBTL1ERN1MAPTBACE1
SCHEMBL17527871 0.85 L3MBTL1 (0.40) ALDH1A1GAAL3MBTL1TDP1TUBB1
SCHEMBL1509904 0.83 PTPN1 (0.34) ALDH1A1GAAL3MBTL1TDP1ERN1
SCHEMBL13025551 0.83 PTPN1 (0.37) ALDH1A1GAAL3MBTL1TDP1ERN1
SCHEMBL13088871 0.81 ALDH1A1 (0.35) ALDH1A1GAAL3MBTL1TDP1ERN1
SCHEMBL2240164 0.81 ERN1 (0.47) LMNAALDH1A1HTTL3MBTL1ERN1
SCHEMBL5644897 0.81 CLCN2 (0.38) LMNAALDH1A1GAAL3MBTL1TDP1
SCHEMBL3363155 0.80 LMNA (0.42) LMNAALDH1A1HTTGAAL3MBTL1
SCHEMBL15257914 0.78 ALDH1A1 (0.40) LMNAALDH1A1HTTGAAL3MBTL1

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
EP-1731493-B1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORP (JP) 2011-03-23 EP disclosed
US-7838087-B2 Benzene derivative, liquid crystal composition and liquid crystal display device CHISSO CORPORATION (JP) 2010-11-23 US disclosed
US-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device JNC PETROCHEMICAL CORPORATION (JP) 2007-08-30 US disclosed
EP-1731493-A1 BENZENE DERIVATIVE, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY CHISSO CORPORATION (JP) 2006-12-13 EP 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-20070200092-A1 Benzene Derivative, Liquid Crystal Composition And Liquid Crystal Display Device CCND2, YBX1, CNKSR1 LMNA 624/4885ALDH1A1 1988/4885HTT 1952/4885

“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.