SCHEMBL5960571

SCHEMBL5960571

CC(=O)c1[nH]cc(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
BRPF1 P55201 2/20 0.36
NPSR1 Q6W5P4 1/20 0.34
CCNC P24863 3/20 0.34
CDK8 P49336 3/20 0.34
ATAD2 Q6PL18 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
PBRM1 Q86U86 1/20 0.31
BRD4 O60885 1/20 0.31
CREBBP Q92793 1/20 0.31
KDM4E B2RXH2 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
Biphenyl SCHEMBL7466723 0.87 SMN1; SMN2 (0.46) NOTUMCYP1A2BRPF1PBRM1BRD4
SCHEMBL9748278 0.81 NOTUM (0.50) NOTUMCCNCCDK8ATAD2ALDH1A1
SCHEMBL20157257 0.79 CCNC (0.51) NOTUMCCNCCDK8ATAD2ALDH1A1
SCHEMBL14023416 0.79 NOTUM (0.48) NOTUMCYP1A2CYP3A4BRPF1NPSR1
SCHEMBL24890364 0.77 NOTUM (0.38) NOTUMCYP1A2CYP3A4BRPF1CCNC
SCHEMBL11287001 0.76 NR4A2 (0.41) NOTUMCYP3A4NPSR1ALDH1A1CREBBP
SCHEMBL15197092 0.68 ALDH1A1 (0.44) BRPF1NPSR1ALDH1A1MAPK1PBRM1
SCHEMBL891077 0.67 NOTUM (0.68) NOTUMCYP1A2CYP3A4BRPF1ATAD2
SCHEMBL19953766 0.64 GLA (0.38) NOTUMCYP1A2ALDH1A1KDM4E
SCHEMBL7475587 0.64 CCNC (0.42) NOTUMCCNCCDK8ATAD2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7122572-B2 For use in Hydrogen Bonding Liquid Chromatography, environmental remediation by removal of undesired ions or neutral molecules, removal of phosphate for kidney dialysis, drug delivery, separation BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2006-10-17 US disclosed
US-7041819-B2 Halogenated calixpyrroles and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2006-05-09 US disclosed
WO-2003018548-A2 HALOGENATED CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES, AND USES THEREOF BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2003-03-06 WO disclosed
US-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2002-08-22 US disclosed
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines BOARD OF REGENTS, THE 2002-02-28 US disclosed
US-6262257-B1 SELECTIVE ION- AND NEUTRAL MOLECULE-BINDING AGENTS FORMING SUPRAMOLECULAR ENSEMBLES, AND ION- AND NEUTRAL MOLECULE-SEPARATION AGENTS BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM 2001-07-17 US disclosed
EP-0891364-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1999-01-20 EP disclosed
CN-1169431-A Novel cephalosporin derivatives and processes for preparation thereof YUHAN CORP (KR) 1998-01-07 CN disclosed
WO-1997037995-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-10-16 WO disclosed
CN-1088209-A Heterogeneous ring compound WELLCOME FOUND (GB) 1994-06-22 CN 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-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 NOTUM 4095/4885CYP1A2 2249/4885CYP3A4 724/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR NOTUM 2279/4885CYP1A2 3644/4885CYP3A4 1339/4885

“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.