SCHEMBL5960581

SCHEMBL5960581

CCc1c[nH]c(C(C)=O)c1CC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.38
CCNC P24863 1/20 0.38
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
EP300 Q09472 1/20 0.35
CREBBP Q92793 1/20 0.35
MAPT P10636 2/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PRNP P04156 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
PPARG P37231 1/20 0.33
HIF1A Q16665 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NR2E3 Q9Y5X4 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
HTR1A P08908 1/20 0.32

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
SCHEMBL4268684 0.83 PRNP (0.42) CDK8CCNCMAPTKMT2ATDP1
SCHEMBL8877986 0.79 BAZ2B (0.40) CDK8CCNCCREBBPMAPTKMT2A
SCHEMBL1650715 0.77 CYP1A2 (0.49) MAPTKMT2ATDP1CYP1A2CYP2C9
SCHEMBL2962190 0.71 KMT2A (0.32) CDK8CCNCKMT2ATDP1HTR1A
SCHEMBL9089075 0.71 NPSR1 (0.32) CDK8CCNCMAPTKMT2ATDP1
SCHEMBL23403823 0.69 PGR (0.39)
SCHEMBL3343968 0.69 GRIN2D (0.30)
SCHEMBL7173883 0.69 SMN1; SMN2 (0.34) MAPTKMT2ATDP1SMN1; SMN2NPC1
SCHEMBL15782800 0.68 HSD17B1 (0.34) KMT2AHTR1ANPC1RAB9AALDH1A1
SCHEMBL8876319 0.68 CCNC (0.33) CDK8CCNCKMT2ATDP1

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 8 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
WO-1997037995-A1 CALIXPYRROLES, CALIXPYRIDINOPYRROLES AND CALIXPYRIDINES BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-10-16 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-20020115566-A1 Halogenated calixpyrroles, calixpyridinopyrroles and calixpyridines, and uses thereof CALD1, CALU, CLASP1 CDK8 3341/4885CCNC 3488/4885BRD4 11/4885
US-20020026047-A1 Calixpyrroles, calixpyridinopyrroles, and calixpyridines CALD1, DAP3, CALR CDK8 1263/4885CCNC 1470/4885BRD4 176/4885

“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.