SCHEMBL2466535

SCHEMBL2466535

Brc1ccccc1C#Cc1ccccc1Br

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.38
NPC1 O15118 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 3/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA1 P00915 1/20 0.35

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
SCHEMBL30468202 1.00 FFAR1 (0.47) FFAR1ALDH1A1MAPK1NPC1KDM4E
SCHEMBL3282977 0.89 FFAR1 (0.42) FFAR1ALDH1A1MAPK1NPC1KDM4E
SCHEMBL12408477 0.89 FFAR1 (0.59) FFAR1ALDH1A1NPC1KDM4EMEN1
SCHEMBL2173149 0.88 FFAR1 (0.41) FFAR1ALDH1A1MAPK1NPC1KDM4E
SCHEMBL1920588 0.87 FFAR1 (0.57) FFAR1ALDH1A1MAPK1NPC1KDM4E
SCHEMBL29843195 0.87 FFAR1 (0.57) FFAR1ALDH1A1MAPK1NPC1KDM4E
SCHEMBL28401249 0.86 FFAR1 (0.40) FFAR1ALDH1A1MAPK1CA2TDP1
SCHEMBL28752319 0.85 FFAR1 (0.56) FFAR1ALDH1A1MAPK1NPC1KDM4E
SCHEMBL2089353 0.84 ALDH1A1 (0.40) FFAR1ALDH1A1MAPK1CYP1A2CA2
SCHEMBL8780975 0.84 FFAR1 (0.42) FFAR1ALDH1A1MAPK1NPC1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109111463-B Method for producing aromatic compound DIC株式会社 2022-07-01 CN disclosed
CN-109111463-A The manufacturing method of aromatic compound DIC株式会社 2019-01-01 CN disclosed
CN-104903329-A Method for producing aromatic compound NIPPON KAYAKU KK 2015-09-09 CN disclosed
US-9073938-B2 Method for producing aromatic compound NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2015-07-07 US disclosed
EP-2147923-B1 METHOD FOR PRODUCING AROMATIC COMPOUND NIPPON KAYAKU KK (JP) 2014-06-04 EP disclosed
EP-2371829-B1 Method for producing benzo-trithiophene or benzo-triselenophene derivatives NIPPON KAYAKU KK (JP) 2012-10-10 EP disclosed
US-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 US disclosed
US-8106142-B2 Polyacetylinic oligomers THE BOEING COMPANY (US) 2012-01-31 US disclosed
US-8084624-B2 Condensed polycyclic aromatic compound and use thereof NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2011-12-27 US disclosed
EP-2371829-A1 Method for producing benzo-trithiophene or benzo-triselenophene derivatives Nippon Kayaku Kabushiki Kaisha (JP) 2011-10-05 EP disclosed
EP-2330108-A1 Method for the preparation of condensed polycyclic aromatic compounds National University of Corporation Hiroshima University (JP) 2011-06-08 EP disclosed
US-20110024731-A1 NOVEL CONDENSED POLYCYCLIC AROMATIC COMPOUND AND USE THEREOF NATIONAL UNIVERSITY OF CORP. HIROSHIMA UNIVERSITY (JP) 2011-02-03 US disclosed
US-7834198-B2 Condensed polycyclic aromatic compound and use thereof NATIONAL UNIVERSITY OF CORPORATION HIROSHIMA UNIVERSITY (JP) 2010-11-16 US disclosed
EP-2248868-A1 LUMINESCENT ELEMENT MATERIAL AND LUMINESCENT ELEMENT Toray Industries, Inc. (JP) 2010-11-10 EP disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100204485-A1 POLYACETYLINIC OLIGOMERS THE BOEING COMPANY 2010-08-12 US disclosed
US-20100137617-A1 METHOD FOR PRODUCING AROMATIC COMPOUND NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-06-03 US disclosed
EP-2147923-A1 METHOD FOR PRODUCING AROMATIC COMPOUND Nippon Kayaku Kabushiki Kaisha (JP) 2010-01-27 EP disclosed
US-20090001357-A1 Novel Condensed Polycyclic Aromatic Compound and Use Thereof NATIONAL UNIVERSITY OF CORP. HIROSHIMA UNIVERSITY (JP) 2009-01-01 US disclosed
EP-1847544-A1 NOVEL CONDENSED POLYCYCLIC AROMATIC COMPOUND AND USE THEREOF National University of Corporation Hiroshima University (JP) 2007-10-24 EP 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 (4 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-20110024731-A1 NOVEL CONDENSED POLYCYCLIC AROMATIC COMPOUND AND USE THEREOF HCN4, HCN2, CTCF FFAR1 4703/4885ALDH1A1 4045/4885MAPK1 3111/4885
US-20090001357-A1 Novel Condensed Polycyclic Aromatic Compound and Use Thereof HCN4, HCN2, CTCF FFAR1 4703/4885ALDH1A1 4045/4885MAPK1 3111/4885
US-20100137617-A1 METHOD FOR PRODUCING AROMATIC COMPOUND SCLY, TYR, CBS FFAR1 3492/4885ALDH1A1 716/4885MAPK1 1956/4885
US-20100204485-A1 POLYACETYLINIC OLIGOMERS AADAC, ACMSD, ECPAS FFAR1 4675/4885ALDH1A1 495/4885MAPK1 3001/4885

“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.