SCHEMBL548139

SCHEMBL548139

O=C(O)Cc1cc(Br)ccc1OCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP28 Q96RU2 1/20 0.54
USP25 Q9UHP3 1/20 0.54
CCR5 P51681 4/20 0.54
FFAR1 O14842 3/20 0.53
FFAR4 Q5NUL3 3/20 0.53
HTT P42858 1/20 0.53
PTGES O14684 1/20 0.53
PTGER1 P34995 3/20 0.53
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
ALDH1A1 P00352 1/20 0.51
RAB9A P51151 1/20 0.51
CYP1A2 P05177 1/20 0.51
MRGPRX4 Q96LA9 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
SCHEMBL2537002 0.93 USP28 (0.60) USP28USP25CCR5HTTPTGER1
SCHEMBL547302 0.88 CCR5 (0.54) USP28USP25CCR5HTTPTGES
SCHEMBL10050013 0.86 PTGER1 (0.48) CCR5FFAR1FFAR4HTTPTGER1
SCHEMBL7823412 0.86 PTGER1 (0.54) FFAR1FFAR4PTGER1
SCHEMBL4767265 0.84 USP28 (0.59) USP28USP25CCR5HTTPTGER1
SCHEMBL4032841 0.81 FFAR1 (0.61) FFAR1
SCHEMBL2538737 0.81 PTGER1 (0.61) CCR5PTGER1RXRARXRBRAB9A
SCHEMBL15820919 0.81 CCR5 (0.60) USP28USP25CCR5HTTPTGER1
SCHEMBL16294058 0.80 PTGER1 (0.64) USP28USP25CCR5FFAR1FFAR4
SCHEMBL21438534 0.80 HSD17B10 (0.68) PTGER1MRGPRX4

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 5 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-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
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 USP28 4419/4885USP25 4280/4885CCR5 661/4885

“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.