SCHEMBL1596880

SCHEMBL1596880

CCC(=O)c1cccc(C(=O)CC)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
KDM4E B2RXH2 3/20 0.52
ALOX15 P16050 2/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
ACMSD Q8TDX5 1/20 0.52
MAPT P10636 2/20 0.43
P2RX7 Q99572 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
ALDH1A1 P00352 3/20 0.41
POLB P06746 3/20 0.41
LMNA P02545 2/20 0.41
NPC1 O15118 1/20 0.41
OPRK1 P41145 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
RIPK1 Q13546 1/20 0.40

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
SCHEMBL5067835 0.87 P2RX7 (0.59) CYP1A2KDM4EALOX15TSHRTDP1
SCHEMBL30693375 0.87 P2RX7 (0.59) CYP1A2KDM4EALOX15TSHRTDP1
SCHEMBL13545046 0.87 CYP1A2 (0.44) CYP1A2KDM4EALOX15TSHRTDP1
SCHEMBL801053 0.87 CYP1A2 (0.58) CYP1A2KDM4ETSHRMAPTSMN1; SMN2
SCHEMBL6564811 0.86 ALDH1A1 (0.49) CYP1A2KDM4EALOX15TSHRTDP1
SCHEMBL19336113 0.86 CYP1A2 (0.43) CYP1A2KDM4EALOX15TSHRTDP1
SCHEMBL7262412 0.86 CYP1A2 (0.43) CYP1A2KDM4EALOX15TSHRTDP1
SCHEMBL25139435 0.84 CYP1A2 (0.42) CYP1A2KDM4EALOX15TSHRTDP1
SCHEMBL21911967 0.82 TERT (0.49) CYP1A2KDM4EALOX15TSHRTDP1
SCHEMBL21393426 0.82 CYP1A2 (0.41) CYP1A2KDM4EALOX15TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120295871-A1 HEPARIN-BASED COMPOSITIONS AND METHODS FOR THE INHIBITION OF METASTASIS DIAMOND, PAUL 2012-11-22 US disclosed
US-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20120049167-A1 ORGANIC ELECTROLUMINESCENT DEVICE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-03-01 US disclosed
US-20110178104-A1 Anti-Heparin Compounds POLYMEDIX INC. (US) 2011-07-21 US disclosed
US-7919562-B2 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO (CA) 2011-04-05 US disclosed
US-7919562-B2 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO (CA) 2011-04-05 US disclosed
US-7919562-B2 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO (CA) 2011-04-05 US disclosed
US-20090318626-A1 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO 2009-12-24 US disclosed
US-20090318626-A1 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO 2009-12-24 US disclosed
US-20090318626-A1 Preparation of supramolecular polymers containing sequence-selective hydrogen bonding subunits in their backbone which form double helices THE UNIVERSITY OF WESTERN ONTARIO 2009-12-24 US disclosed
WO-2007137430-A1 PREPARATION OF SUPRAMOLECULAR POLYMERS CONTAINING SEQUENCE-SELECTIVE HYDROGEN BONDING SUBUNITS IN THEIR BACKBONE WHICH FORM DOUBLE HELICES THE UNIVERSITY OF WESTERN ONTARIO (CA) 2007-12-06 WO disclosed
WO-2007137430-A1 PREPARATION OF SUPRAMOLECULAR POLYMERS CONTAINING SEQUENCE-SELECTIVE HYDROGEN BONDING SUBUNITS IN THEIR BACKBONE WHICH FORM DOUBLE HELICES THE UNIVERSITY OF WESTERN ONTARIO (CA) 2007-12-06 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-20110178104-A1 Anti-Heparin Compounds SERPINC1, CFH, SERPINH1 CYP1A2 3934/4885KDM4E 2875/4885ALOX15 2232/4885
US-20120295871-A1 HEPARIN-BASED COMPOSITIONS AND METHODS FOR THE INHIBITION OF METASTASIS HPSE, SERPINC1, CD44 CYP1A2 4412/4885KDM4E 3044/4885ALOX15 2968/4885

“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.