SCHEMBL4641301

SCHEMBL4641301

O=C(O)CCc1cccc(Br)c1Br

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.49
FFAR4 Q5NUL3 2/20 0.49
PTGER1 P34995 2/20 0.47
PTGER4 P35408 2/20 0.47
PTGER3 P43115 2/20 0.47
PTGER2 P43116 2/20 0.47
GPR17 Q13304 1/20 0.45
KEAP1 Q14145 1/20 0.45
PARP1 P09874 1/20 0.45
NPSR1 Q6W5P4 2/20 0.42
THRA P10827 4/20 0.41
THRB P10828 4/20 0.41
ESR1 P03372 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
NR3C2 P08235 1/20 0.40
AR P10275 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
SCHEMBL30641923 0.84 FFAR1 (0.59) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL7573 0.84 FFAR1 (0.59) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL27522264 0.83 FFAR1 (0.48) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL9498776 0.83 GABRA1 (0.63) FFAR1FFAR4PTGER1PTGER4PTGER3
Phenyl Propionic Acid SCHEMBL7528837 0.83 FFAR1 (0.52) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL31033368 0.81 FFAR1 (0.45) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL22498572 0.81 PTGER1 (0.49) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL22089619 0.81 FFAR1 (0.47) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL8179287 0.81 NPSR1 (0.48) FFAR1FFAR4PTGER1PTGER4PTGER3
SCHEMBL18300938 0.81 NPSR1 (0.53) FFAR1FFAR4PTGER1PTGER4PTGER3

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-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US claimed
WO-2020155595-A1 AEROBIC OXIDATION SYSTEM CONTAINING SULFINIC ACID, SULFONIC ACID OR DERIVATIVES THEREOF AND PHOTOCATALYTIC OXIDATION METHOD THEREFOR 清华大学 2020-08-06 WO disclosed
EP-1958993-A1 Phase change inks containing colorant compounds Xerox Corporation (US) 2008-08-20 EP disclosed
US-20060020141-A1 Metallized dye XEROX CORPORATION 2006-01-26 US disclosed
US-20060016369-A1 PHASE CHANGE INKS XEROX CORPORATION 2006-01-26 US disclosed
CN-1724532-A Colorant compound XEROX CORP (US) 2006-01-25 CN disclosed
US-5580702-A COMPRISING A PHOTOSENSITIVE ACID-GENERATING COMPOUND AND A COPOLYMER OF P-HYDROXYSTYRENE AND AN ESTER OF P-CARBOXYMETHOXYSTYRENE; NONTOXIC; STEEP WALLS; HIGH SPEED; SEMICONDUCTORS KABUSHIKI KAISHA TOSHIBA (JP) 1996-12-03 US disclosed
US-5403695-A Photolithography; high resolution; semiconductors KABUSHIKI KAISHA TOSHIBA (JP) 1995-04-04 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 (1 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-20060020141-A1 Metallized dye CDYL, CDY1; CDY1B, CDYL2 FFAR1 4474/4885FFAR4 4176/4885PTGER1 4620/4885

“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.