SCHEMBL547302

SCHEMBL547302

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 4/20 0.54
ALDH1A1 P00352 2/20 0.53
USP28 Q96RU2 1/20 0.53
USP25 Q9UHP3 1/20 0.53
RAB9A P51151 1/20 0.53
HTT P42858 1/20 0.52
LMNA P02545 2/20 0.52
PTGER1 P34995 4/20 0.50
CYP1A2 P05177 1/20 0.50
USP2 O75604 1/20 0.50
LRRK2 Q5S007 1/20 0.50
PTGES O14684 1/20 0.49

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
SCHEMBL15820919 0.94 CCR5 (0.60) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL548139 0.88 USP28 (0.54) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL10049869 0.87 SMN1; SMN2 (0.48) CCR5RAB9AHTTLMNAPTGER1
SCHEMBL29284729 0.84 LMNA (0.52) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL4029372 0.83 FFAR1 (0.56)
SCHEMBL16293563 0.82 CCR5 (0.57) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL4034898 0.82 MTNR1A (0.54) ALDH1A1RAB9ALMNA
SCHEMBL2537002 0.81 USP28 (0.60) CCR5ALDH1A1USP28USP25RAB9A
SCHEMBL5446276 0.80 L3MBTL1 (0.53) ALDH1A1RAB9A
SCHEMBL4767265 0.80 USP28 (0.59) CCR5ALDH1A1USP28USP25RAB9A

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 CCR5 661/4885ALDH1A1 341/4885USP28 4419/4885

“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.