SCHEMBL548140

SCHEMBL548140

O=C(O)C(OCc1ccc(OCc2ccccc2)cc1)c1cccc(Br)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.54
FFAR4 Q5NUL3 2/20 0.54
MAOB P27338 3/20 0.52
PARP15 Q460N3 1/20 0.50
PARP14 Q460N5 1/20 0.50
PARP10 Q53GL7 1/20 0.50
PTGES O14684 1/20 0.48
MRGPRX4 Q96LA9 2/20 0.48
PPARG P37231 2/20 0.47
PPARA Q07869 2/20 0.47
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46

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
SCHEMBL2537007 0.91 MAOB (0.46) FFAR1FFAR4MAOBPTGESMRGPRX4
SCHEMBL547303 0.90 LTA4H (0.51) FFAR1FFAR4MAOBPARP15PARP14
SCHEMBL10584101 0.83 NR4A1 (0.57) FFAR1FFAR4MAOBPARP10PPARG
SCHEMBL15610228 0.77 KYNU (0.50)
SCHEMBL1586340 0.77 SLC1A3 (0.54)
SCHEMBL10590437 0.76 KMT2A (0.60) FFAR1MAOBNR4A2
SCHEMBL8009506 0.76 MTNR1A (0.55) FFAR1MAOBMRGPRX4
SCHEMBL9077243 0.75 MEN1 (0.49) PPARGPPARARXRARXRB
SCHEMBL5089141 0.74 FFAR1 (0.48) FFAR1FFAR4MAOBMRGPRX4
Hydrochloric Acid SCHEMBL5098915 0.73 FFAR1 (0.47) FFAR1FFAR4MAOBMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110601-B2 Compound, α1 adrenergic receptor antagonistic agent, and composition SUNTORY HOLDINGS LIMITED (JP) 2012-02-07 US disclosed
US-20100004328-A1 COMPOUND, Alpha1 ADRENERGIC RECEPTOR ANTAGONISTIC AGENT, AND COMPOSITION SUNTORY HOLDING LIMITED (JP) 2010-01-07 US disclosed
EP-2128148-A1 COMPOUND, ALPHA 1 ADRENALINE RECEPTOR ANTAGONIST, AND COMPOSITION Suntory Holdings Limited (JP) 2009-12-02 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 (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-20100004328-A1 COMPOUND, Alpha1 ADRENERGIC RECEPTOR ANTAGONISTIC AGENT, AND COMPOSITION ADRB1, ADRA1A, ADRA1D FFAR1 57/4885FFAR4 271/4885MAOB 1417/4885

“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.