SCHEMBL12827331

SCHEMBL12827331

O=C(Oc1cccc2c1C(=O)C=CC2=O)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP1 P11387 3/20 1.00
KMT2A Q03164 7/20 0.56
MAPT P10636 4/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
POLM Q9NP87 2/20 0.52
POLK Q9UBT6 2/20 0.52
POLL Q9UGP5 2/20 0.52
POLH Q9Y253 2/20 0.52
PTGES O14684 1/20 0.51
SLC6A3 Q01959 1/20 0.50
HSD17B10 Q99714 3/20 0.49
MEN1 O00255 2/20 0.49
USP2 O75604 2/20 0.49
ALOX15 P16050 2/20 0.49
ESR1 P03372 2/20 0.49
ESR2 Q92731 2/20 0.49
JAK2 O60674 1/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
PARP1 P09874 1/20 0.47

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
SCHEMBL5821897 0.87 TOP1 (0.76) TOP1KMT2AMAPTSMN1; SMN2POLM
SCHEMBL6367155 0.82 TOP1 (0.69) TOP1KMT2AMAPTSMN1; SMN2PTGES
SCHEMBL9006495 0.81 TOP1 (0.67) TOP1KMT2AMAPTSMN1; SMN2POLM
SCHEMBL11524597 0.79 TOP1 (0.66) TOP1KMT2AMAPTSMN1; SMN2PTGES
SCHEMBL1287104 0.79 TOP1 (0.65) TOP1KMT2AMAPTSMN1; SMN2POLM
SCHEMBL16473011 0.79 TOP1 (0.64) TOP1KMT2AMAPTSMN1; SMN2PTGES
SCHEMBL9680641 0.78 TOP1 (0.64) TOP1KMT2AMAPTSMN1; SMN2PTGES
SCHEMBL31517375 0.77 KMT2A (0.68) TOP1KMT2AMAPTSMN1; SMN2PTGES
SCHEMBL2712997 0.77 TOP1 (0.62) TOP1KMT2AMAPTSMN1; SMN2PTGES
SCHEMBL725404 0.75 KMT2A (0.76) TOP1KMT2AMAPTSMN1; SMN2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071124-A1 Compounds that Inhibit Production of sAPPB and AB and Uses Thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2011-03-24 US 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-20110071124-A1 Compounds that Inhibit Production of sAPPB and AB and Uses Thereof SAP30BP, APP, BACE1 TOP1 4689/4885KMT2A 4560/4885MAPT 16/4885

“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.