SCHEMBL4100319

SCHEMBL4100319

CC(=O)c1ccc(Oc2ccc(O)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.83
MAPT P10636 2/20 0.83
RAB9A P51151 1/20 0.83
HSD17B1 P14061 1/20 0.65
PARP10 Q53GL7 2/20 0.64
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
ESR1 P03372 1/20 0.61
ESR2 Q92731 1/20 0.61
ESRRA P11474 1/20 0.57
LTA4H P09960 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
NR1H2 P55055 1/20 0.52
BAX Q07812 1/20 0.52
GAA P10253 1/20 0.52
ALDH1A1 P00352 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MAOB P27338 2/20 0.50
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50

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
SCHEMBL16378344 0.94 MAPT (0.73) HPGDMAPTRAB9AHSD17B1PARP10
Mequinol SCHEMBL5836060 0.92 MAPT (0.70) HPGDMAPTRAB9AHSD17B1PARP10
SCHEMBL203697 0.91 HPGD (1.00) HPGDMAPTRAB9APARP10KMT2A
SCHEMBL3301210 0.91 HPGD (1.00) HPGDMAPTRAB9APARP10KMT2A
SCHEMBL9619566 0.91 MAPT (0.68) HPGDMAPTRAB9AHSD17B1PARP10
SCHEMBL16705546 0.89 HSD17B1 (0.69) HPGDMAPTRAB9AHSD17B1PARP10
SCHEMBL16378244 0.89 HSD17B1 (0.69) HPGDMAPTRAB9AHSD17B1PARP10
4-Hydroxyacetophenone SCHEMBL8934912 0.86 HSD17B1 (0.85) HPGDMAPTRAB9AHSD17B1KMT2A
4-Hydroxyacetophenone SCHEMBL40866 0.86 HSD17B1 (0.85) HPGDMAPTRAB9AHSD17B1KMT2A
SCHEMBL9619563 0.85 RAB9A (0.66) HPGDMAPTRAB9AHSD17B1PARP10

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1926708-B1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2014-06-18 EP disclosed
US-8598359-B2 Biaryl substituted heterocycle inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2013-12-03 US disclosed
US-20130295261-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. (US) 2013-11-07 US disclosed
US-8420145-B2 Isosorbide derivatives and their use as flavor modifiers, tastants, and taste enhancers SENOMYX, INC. (US) 2013-04-16 US disclosed
WO-2009118747-A1 NOVEL HYDROXY FUNCTIONALIZED 1, 2, 4-TRIOXANES AS ANTIMALARIAL AGENTS AND A PROCESS FOR THE PREPARATION THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2009-10-01 WO disclosed
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS SENOMYX, INC. 2009-09-03 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090186900-A1 COMPOUND STERIX LIMITED (GB) 2009-07-23 US disclosed
US-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS, EHF (IS) 2009-06-25 US disclosed
WO-2007040681-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2007-04-12 WO disclosed
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-04-05 US disclosed
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE CHEMISTRY, INC. (US) 2007-03-22 US disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP disclosed
US-5610020-A CLEAVING TO LABEL MOLECULAR SPEICES IN ANALYTES; VOLATILE FOR DETERMINATION IN GAS PGHASE NORTHEASTERN UNIVERSITY (US) 1997-03-11 US disclosed
US-5604104-A BIOLOGICAL ANALYSIS USING A CLEAVABLE LABEL CAPABLE OF VOLATILIZATION AND DETECTION IN THE VAPOR PHASE; MEDICAL DIAGNOSIS; HUMAN GENOME PROJECT; GENETIC DISORDERS NORTHEASTERN UNIVERSITY (US) 1997-02-18 US disclosed
US-5602273-A WHEN CLEAVED RELEASE STABLE ELECTROPHORIC KETONES VOLATILE ENOUGH FOR DETERMINATION IN GAS PHASE NORTHEASTERN UNIVERSITY (US) 1997-02-11 US disclosed
US-5516931-A AROMATIC FLUORINATED KETONES FOR CHEMICAL LABELS NORTHEASTERN UNIVERSITY (US) 1996-05-14 US disclosed
US-4950809-A REACTING ARYL KETONE OR ALDEHYDE WITH PERACETIC ACID RHONE-POULENC CHIMIE (FR) 1990-08-21 US 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 (5 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-20090163462-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S HPGD 51/4885MAPT 4737/4885RAB9A 2912/4885
US-20070066820-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S HPGD 51/4885MAPT 4737/4885RAB9A 2912/4885
US-20090186900-A1 COMPOUND HSD17B2, HSD17B11, CYP17A1 HPGD 61/4885MAPT 929/4885RAB9A 3860/4885
US-20090220662-A1 ISOSORBIDE DERIVATIVES AND THEIR USE AS FLAVOR MODIFIERS, TASTANTS, AND TASTE ENHANCERS TAS2R10, TAS2R41, TAS2R30 HPGD 2593/4885MAPT 812/4885RAB9A 1350/4885
US-20070078263-A1 BIARYL SUBSTITUTED HETEROCYCLE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTC4S HPGD 51/4885MAPT 4737/4885RAB9A 2912/4885

“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.