SCHEMBL4658993

SCHEMBL4658993

O=C(Cc1ccc(O)cc1)OC(=O)Cc1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.60
CAMK2A Q9UQM7 1/20 0.60
SENP1 Q9P0U3 2/20 0.55
FNTA P49354 1/20 0.54
FNTB P49356 1/20 0.54
CTBP2 P56545 1/20 0.48
ESR1 P03372 3/20 0.47
ESR2 Q92731 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
SHBG P04278 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
UCHL1 P09936 1/20 0.46
USP5 P45974 1/20 0.46
USP4 Q13107 1/20 0.46
IDO1 P14902 2/20 0.44

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
SCHEMBL4789964 0.90 CA2 (0.53) CA2CAMK2ASENP1FNTAFNTB
SCHEMBL4659000 0.87 CA2 (0.52) CA2CAMK2ASENP1FNTAFNTB
SCHEMBL6558102 0.84 CA2 (0.58) CA2CAMK2ASENP1FNTAFNTB
SCHEMBL112488 0.82 CYP4F2 (0.66) CA2CAMK2ASENP1FNTAFNTB
SCHEMBL16066069 0.82 CA2 (0.59) CA2CAMK2ASENP1FNTAFNTB
SCHEMBL414384 0.80 SENP1 (0.59) CA2CAMK2ASENP1FNTAFNTB
Hydrochloric Acid SCHEMBL27517466 0.80 CYP4F2 (0.63) CA2CAMK2ASENP1FNTAFNTB
SCHEMBL7646563 0.80 CYP4F2 (0.63) CA2CAMK2ASENP1FNTAFNTB
SCHEMBL12715363 0.80 SENP1 (0.43) CA2CAMK2ASENP1ALDH1A1MAPK1
SCHEMBL8855417 0.79 POLB (0.56) CTBP2NPC1RAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190214145-A1 Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen KUREK ITZHAK (US) 2019-07-11 US disclosed
EP-1739114-B1 POLYIMIDE RESIN, MULTILAYER FILM, MULTILAYER FILM WITH METAL LAYER, AND SEMICONDUCTOR DEVICE TORAY INDUSTRIES (JP) 2008-12-17 EP disclosed
US-20070260035-A1 Polyimide Resin, Laminate Film, Metal Layer-Bearing Laminate Film, and Semiconductor Device TORAY INDUSTRIES, INC. (JP) 2007-11-08 US disclosed
US-7183279-B2 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof UNIVERSITY OF OTTAWA (CA) 2007-02-27 US disclosed
EP-1739114-A1 POLYIMIDE RESIN, MULTILAYER FILM, MULTILAYER FILM WITH METAL LAYER, AND SEMICONDUCTOR DEVICE TORAY INDUSTRIES, INC. (JP) 2007-01-03 EP disclosed
US-20060252673-A1 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof UNIVERSITY OF OTTAWA (CA) 2006-11-09 US disclosed
US-7074786-B2 Histogranin-like peptides, processes for their preparation and uses thereof UNIVERSITY OF OTTAWA (CA) 2006-07-11 US disclosed
EP-1481002-B1 HISTOGRANIN-LIKE PEPTIDES AND NON-PEPTIDES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF UNIV OTTAWA (CA) 2006-04-19 EP disclosed
US-6972281-B2 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof UNIVERSITY OF OTTAWA (CA) 2005-12-06 US disclosed
US-20050233953-A1 Histogranin-like peptides, processes for their preparation and uses thereof UNIVERSITY OF OTTAWA (CA) 2005-10-20 US disclosed
EP-1481002-A1 HISTOGRANIN-LIKE PEPTIDES AND NON-PEPTIDES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF University of Ottawa (CA) 2004-12-01 EP disclosed
US-20030176329-A1 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof OTTAWA, UNIVERSITY OF (CA) 2003-09-18 US disclosed
WO-2003066673-A1 HISTOGRANIN-LIKE PEPTIDES AND NON-PEPTIDES, PROCESSES FOR THEIR PREPARATION AND USES THEREOF UNIVERSITY OF OTTAWA (CA) 2003-08-14 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 (3 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-20060252673-A1 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof GRPR, HRH2, OPRL1 CA2 446/4885CAMK2A 3208/4885SENP1 1684/4885
US-20030176329-A1 Histogranin-like peptides and non-peptides, processes for their preparation and uses thereof GRPR, OPRL1, NGLY1 CA2 268/4885CAMK2A 2350/4885SENP1 1375/4885
US-20050233953-A1 Histogranin-like peptides, processes for their preparation and uses thereof GRPR, HRH2, OPRL1 CA2 459/4885CAMK2A 3329/4885SENP1 1513/4885

“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.