SCHEMBL1963632

SCHEMBL1963632

COC(=O)c1ccc(OCCCCOS(C)(=O)=O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.68
RAB9A P51151 4/20 0.60
L3MBTL1 Q9Y468 2/20 0.52
TDP1 Q9NUW8 1/20 0.52
KDM4E B2RXH2 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
ALDH1A1 P00352 2/20 0.51
HTT P42858 1/20 0.51
GAA P10253 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
STS P08842 1/20 0.50
NPC1 O15118 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.46
USP2 O75604 1/20 0.46
MMP9 P14780 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL1793833 0.98 MAPT (0.66) MAPTRAB9AL3MBTL1TDP1KDM4E
SCHEMBL1964237 0.92 MAPT (0.75) MAPTRAB9AL3MBTL1TDP1KDM4E
SCHEMBL5054312 0.85 MAPT (0.85) MAPTRAB9AL3MBTL1TDP1KDM4E
SCHEMBL18095332 0.84 TDP1 (0.54) MAPTL3MBTL1TDP1ALDH1A1HTT
SCHEMBL8732251 0.84 CYP4A11 (0.63) MAPTRAB9ATDP1KDM4EALDH1A1
SCHEMBL2469151 0.84 MAPT (0.89) MAPTRAB9AL3MBTL1TDP1KDM4E
SCHEMBL5482990 0.83 TP53 (0.67) TDP1HTTGAATSHR
SCHEMBL1795779 0.83 MAPT (0.70) MAPTRAB9AL3MBTL1TDP1KDM4E
SCHEMBL1794739 0.82 CYP4A11 (0.61) MAPTRAB9ATDP1KDM4EALDH1A1
SCHEMBL15693338 0.82 MAPT (0.79) MAPTRAB9AL3MBTL1TDP1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2513028-B1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, USE OF SAID ALIZARIN COMPOUND, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORP (JP) 2018-06-20 EP disclosed
CN-102639480-B Method for producing alizarin derivative compound, novel alizarin derivative compound, surface modification method, photoelectric conversion film, photoelectric conversion element, and electrophotographic photoreceptor FUJIFILM CORP. (JP) 2015-10-07 CN disclosed
US-8741513-B2 Method for preparing alizarin derivative compound, novel alizarin derivative compound, surface modification method, photoelectric conversion film, photoelectric conversion element, and electrophotographic photoreceptor FUJIFILM CORPORATION (JP) 2014-06-03 US disclosed
EP-2513028-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM Corporation (JP) 2012-10-24 EP disclosed
US-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2012-09-27 US disclosed
CN-102639480-A Method for producing alizarin derivative compound, novel alizarin derivative compound, surface modification method, photoelectric conversion film, photoelectric conversion element, and electrophotographic photoreceptor FUJIFILM CORP 2012-08-15 CN disclosed
WO-2011071130-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR FUJIFILM CORPORATION (JP) 2011-06-16 WO 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-20120244462-A1 METHOD FOR PREPARING ALIZARIN DERIVATIVE COMPOUND, NOVEL ALIZARIN DERIVATIVE COMPOUND, SURFACE MODIFICATION METHOD, PHOTOELECTRIC CONVERSION FILM, PHOTOELECTRIC CONVERSION ELEMENT, AND ELECTROPHOTOGRAPHIC PHOTORECEPTOR NR2E3, INA, NHERF1 MAPT 4813/4885RAB9A 3074/4885L3MBTL1 3699/4885

“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.