SCHEMBL682724

SCHEMBL682724

COC(=O)c1ccc([C@H]2Nc3ccc(OC=O)cc3[C@@H]3C=CC[C@H]23)cc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.74
MAPT P10636 13/20 0.61
POLB P06746 7/20 0.61
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
KDM4E B2RXH2 5/20 0.56
ALDH1A1 P00352 4/20 0.56
GAA P10253 1/20 0.56
PKM P14618 1/20 0.56
RECQL P46063 1/20 0.56
HPGD P15428 1/20 0.56
RAB9A P51151 1/20 0.56
GRK6 P43250 1/20 0.56
PLA2G1B P04054 2/20 0.56
ATG4B Q9Y4P1 2/20 0.56
CASP3 P42574 1/20 0.56
CASP6 P55212 1/20 0.56
TDP1 Q9NUW8 1/20 0.55
ALOX12 P18054 1/20 0.54
HTT P42858 1/20 0.54

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
SCHEMBL686171 0.85 AR (0.84) ARMAPTPOLBMEN1KMT2A
SCHEMBL15299952 0.85 AR (0.81) ARMAPTPOLBMEN1KMT2A
SCHEMBL15300156 0.85 AR (0.81) ARMAPTPOLBMEN1KMT2A
SCHEMBL13601355 0.82 AR (0.79) ARMAPTPOLBMEN1KMT2A
SCHEMBL15300175 0.81 MAPT (0.78) ARMAPTPOLBMEN1KMT2A
SCHEMBL19406536 0.81 AR (0.80) ARMAPTPOLBMEN1KMT2A
SCHEMBL683115 0.80 MAPT (0.58) ARMAPTPOLBMEN1KMT2A
SCHEMBL914607 0.79 AR (0.81) ARMAPTPOLBMEN1KMT2A
SCHEMBL15321707 0.77 AR (0.60) ARMAPTPOLBMEN1KMT2A
SCHEMBL15322842 0.77 AR (0.60) ARMAPTPOLBMEN1KMT2A

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-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS (US) 2012-01-12 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-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 AR 4834/4885MAPT 4872/4885POLB 2638/4885

“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.