SCHEMBL1963772

SCHEMBL1963772

CCOC(=O)c1ccc(OCCOCCBr)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
MAPT P10636 5/20 0.53
LMNA P02545 2/20 0.52
SCN1A P35498 1/20 0.52
SCN2A Q99250 1/20 0.52
SCN3A Q9NY46 1/20 0.52
KCNH2 Q12809 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
TBXAS1 P24557 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ESR1 P03372 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
ESR2 Q92731 1/20 0.50
CA14 Q9ULX7 1/20 0.50
ALDH1A1 P00352 3/20 0.49
RARB P10826 1/20 0.49

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
SCHEMBL1961069 0.91 TDP1 (0.62) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL6701399 0.87 TDP1 (0.74) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL3966194 0.87 TDP1 (0.62) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL3098710 0.87 TDP1 (0.62) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL18105961 0.87 TDP1 (0.62) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL15561981 0.87 TDP1 (0.62) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL9794827 0.86 L3MBTL1 (0.61) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL7042805 0.85 L3MBTL1 (0.59) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL8942511 0.85 L3MBTL1 (0.59) TDP1L3MBTL1MAPTLMNASCN1A
SCHEMBL11546943 0.85 L3MBTL1 (0.59) TDP1L3MBTL1MAPTLMNASCN1A

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
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
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
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 TDP1 4222/4885L3MBTL1 3699/4885MAPT 4813/4885

“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.