SCHEMBL686171

SCHEMBL686171

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.84
MAPT P10636 10/20 0.75
MEN1 O00255 5/20 0.75
KMT2A Q03164 5/20 0.75
KDM4E B2RXH2 3/20 0.75
GRK6 P43250 1/20 0.70
POLB P06746 6/20 0.66
TDP1 Q9NUW8 1/20 0.66
ALDH1A1 P00352 3/20 0.65
HPGD P15428 1/20 0.65
RAB9A P51151 1/20 0.65
GAA P10253 2/20 0.64
PKM P14618 1/20 0.64
RECQL P46063 1/20 0.64
PLA2G1B P04054 1/20 0.62
CASP3 P42574 1/20 0.62
CASP6 P55212 1/20 0.62
ATG4B Q9Y4P1 1/20 0.62
APOBEC3A P31941 1/20 0.61
APOBEC3G Q9HC16 1/20 0.61

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
SCHEMBL13601355 0.90 AR (0.79) ARMAPTMEN1KMT2AKDM4E
SCHEMBL15299952 0.89 AR (0.81) ARMAPTMEN1KMT2AKDM4E
SCHEMBL15300156 0.89 AR (0.81) ARMAPTMEN1KMT2AKDM4E
SCHEMBL23949812 0.88 MAPT (0.76) ARMAPTMEN1KMT2AKDM4E
SCHEMBL23950052 0.88 MAPT (0.76) ARMAPTMEN1KMT2AKDM4E
SCHEMBL19406536 0.87 AR (0.80) ARMAPTMEN1KMT2AKDM4E
SCHEMBL681674 0.87 MAPT (0.81) ARMAPTMEN1KMT2AKDM4E
SCHEMBL23949811 0.87 MAPT (0.81) ARMAPTMEN1KMT2AKDM4E
SCHEMBL23949937 0.86 MEN1 (0.73) ARMAPTMEN1KMT2AKDM4E
SCHEMBL14464397 0.86 MAPT (0.73) ARMAPTMEN1KMT2AKDM4E

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 6 patents. 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
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-8003692-B2 Methods and compositions to inhibit edema factor and adenylyl cyclase BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2011-08-23 US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
US-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase MISSION PHARMACAL CO. (US) 2009-04-09 US disclosed
WO-2009038842-A2 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE MISSION PHARMACAL CO. (US) 2009-03-26 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 (2 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-20090093519-A1 Methods and Compositions to Inhibit Edema Factor and Adenylyl Cyclase VIP, PDE3B, ADCY5 AR 4834/4885MAPT 4872/4885MEN1 3097/4885
US-20120010233-A1 METHODS AND COMPOSITIONS TO INHIBIT EDEMA FACTOR AND ADENYLYL CYCLASE VIP, PDE3B, ADCY5 AR 4834/4885MAPT 4872/4885MEN1 3097/4885

“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.