SCHEMBL1963756

SCHEMBL1963756

COC(=O)c1ccc(OCC2CCC(CBr)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 4/20 0.57
PARP10 Q53GL7 4/20 0.57
PARP2 Q9UGN5 2/20 0.57
MAPT P10636 4/20 0.55
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
RAB9A P51151 3/20 0.50
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
NPC1 O15118 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL927657 0.93 PARP15 (0.66) PARP15PARP10PARP2MAPTDRD2
SCHEMBL30198 0.87 PARP15 (0.59) PARP15PARP10PARP2MAPTDRD2
SCHEMBL9577038 0.86 PARP15 (0.57) PARP15PARP10PARP2MAPTDRD2
SCHEMBL7311285 0.85 PARP10 (0.68) PARP15PARP10PARP2MAPTDRD2
SCHEMBL240271 0.83 TDP1 (0.64) PARP15PARP10PARP2MAPTDRD2
SCHEMBL3225620 0.82 MAPT (0.58) PARP15PARP10PARP2MAPTDRD2
SCHEMBL1964456 0.82 PARP15 (0.54) PARP15PARP10PARP2MAPTDRD2
SCHEMBL631819 0.80 DRD2 (0.52) PARP15PARP10PARP2MAPTDRD2
SCHEMBL28255665 0.79 MAPT (0.58) PARP15PARP10PARP2MAPTDRD2
SCHEMBL927581 0.78 MAPT (0.70) MAPTRAB9ACA1CA2NPC1

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 PARP15 3145/4885PARP10 3934/4885PARP2 4362/4885

“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.