SCHEMBL10049869

SCHEMBL10049869

CCCCOc1ccc(COc2ccc(Br)cc2CC(=O)OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
PDE4A P27815 1/20 0.48
HIF1A Q16665 1/20 0.48
HDAC10 Q969S8 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
CCR5 P51681 5/20 0.46
PTGER1 P34995 1/20 0.45
LMNA P02545 2/20 0.44
SMPD1 P17405 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PPARD Q03181 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL10050013 0.88 PTGER1 (0.48) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL18809058 0.88 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ELMNASMPD1PPARD
SCHEMBL547302 0.87 CCR5 (0.54) CYP1A2CCR5PTGER1LMNAHTT
SCHEMBL15820919 0.83 CCR5 (0.60) SMN1; SMN2CYP1A2CCR5PTGER1LMNA
SCHEMBL15270706 0.81 KDM4E (0.52) SMN1; SMN2KDM4ELMNAMTNR1AMTNR1B
SCHEMBL15270663 0.79 KMT2A (0.50) SMN1; SMN2KDM4ELMNAMTNR1AMTNR1B
SCHEMBL13567643 0.78 LRRK2 (0.47) SMN1; SMN2KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL10049810 0.78 CNR2 (0.54) SMN1; SMN2CCR5PTGER1LMNAMEN1
SCHEMBL20954703 0.77 MEN1 (0.51) KDM4ELMNAMTNR1AMTNR1BPPARD
SCHEMBL16306929 0.76 SMN1; SMN2 (0.51) SMN1; SMN2KDM4ELMNASMPD1MTNR1A

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 SMN1; SMN2 4183/4885KDM4E 4637/4885CYP1A2 1250/4885

“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.