SCHEMBL2367539

SCHEMBL2367539

O=C1C(=O)c2c(Oc3ccccc3)ccc3cccc1c23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
KMT2A Q03164 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
HKDC1 Q2TB90 2/20 0.49
POLB P06746 2/20 0.49
HTT P42858 2/20 0.49
MAPK1 P28482 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
XBP1 P17861 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CES1 P23141 3/20 0.48
ALDH1A1 P00352 3/20 0.48
CES2 O00748 2/20 0.48
BCHE P06276 1/20 0.48
MCL1 Q07820 1/20 0.48
ADORA2A P29274 1/20 0.47
DNMT1 P26358 2/20 0.43
CYP3A4 P08684 1/20 0.43
PABPC1 P11940 1/20 0.43

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
SCHEMBL2367945 0.87 ALDH1A1 (0.44) MAPTKMT2ASMN1; SMN2HKDC1POLB
SCHEMBL2040632 0.81 PARP1 (0.53) MAPTKMT2ASMN1; SMN2HKDC1POLB
SCHEMBL827965 0.79 MAPT (0.55) MAPTKMT2ASMN1; SMN2POLBHTT
SCHEMBL1198049 0.76 ADORA2A (0.50) MAPTKMT2ASMN1; SMN2HKDC1POLB
SCHEMBL10927218 0.74 ADORA2A (0.60) MAPTKMT2ASMN1; SMN2HKDC1POLB
SCHEMBL9241413 0.73 ADORA2A (0.55) MAPTKMT2ASMN1; SMN2HKDC1POLB
SCHEMBL10546429 0.73 ADORA2A (0.58) MAPTKMT2ASMN1; SMN2HKDC1POLB
SCHEMBL20334889 0.73 MAPT (0.60) MAPTKMT2ASMN1; SMN2HKDC1POLB
SCHEMBL1764840 0.71 ADORA2A (0.66) MAPTKMT2ASMN1; SMN2HKDC1POLB
SCHEMBL30420926 0.71 ALDH1A1 (0.61) MAPTKMT2APOLBHTTMAPK1

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
CN-101928243-B Acenaphtho heterocyclic compounds, and cyclodextrin inclusion compounds or conjugates thereof and application thereof in preparing Bcl-2 family protein inhibitors UNIV DALIAN TECH 2012-09-05 CN disclosed
US-20110251188-A1 ACENAPHTHO HETEROCYCLE COMPOUNDS, CYCLODEXTRIN INCLUSION COMPOUNDS AND COMPLEXES, AND USES IN THE MANUFACTURES OF BH3 PROTEIN ANALOGUE, BCL-2 FAMILY PROTEIN INHIBITORS THEREOF DALIAN UNIVERSITY OF TECHNOLOGY (CN) 2011-10-13 US disclosed
EP-2366701-A1 ACENAPHTHO HETEROCYCLE COMPOUNDS, CYCLODEXTRIN INCLUSION COMPOUNDS AND COMPLEXES, AND USES IN THE MANUFACTURES OF BH3 PROTEIN ANALOGUE, BCL-2 FAMILY PROTEIN INHIBITORS THEREOF Dalian University Of Technology (CN) 2011-09-21 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-20110251188-A1 ACENAPHTHO HETEROCYCLE COMPOUNDS, CYCLODEXTRIN INCLUSION COMPOUNDS AND COMPLEXES, AND USES IN THE MANUFACTURES OF BH3 PROTEIN ANALOGUE, BCL-2 FAMILY PROTEIN INHIBITORS THEREOF BID, BCL2, BAX MAPT 2488/4885KMT2A 4394/4885SMN1; SMN2 3606/4885

“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.