SCHEMBL15865620

SCHEMBL15865620

COC(=O)CN(CCN(CC(C)=O)Cc1cccc(C(=O)OC(C)(C)C)n1)Cc1cccc(C(=O)OC(C)(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.33
CASR P41180 1/20 0.32
CYP1A2 P05177 1/20 0.32
PARP1 P09874 1/20 0.32
PDE5A O76074 1/20 0.31
NR1D1 P20393 1/20 0.31
BRD4 O60885 1/20 0.30
AKT1 P31749 1/20 0.30
ADORA2A P29274 1/20 0.30

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
SCHEMBL2362585 0.96 MRGPRX4 (0.35) MRGPRX4CASRCYP1A2PARP1NR1D1
SCHEMBL15865612 0.93 CYP1A2 (0.36) MRGPRX4CYP1A2PARP1BRD4AKT1
SCHEMBL15865629 0.85 MRGPRX4 (0.39) MRGPRX4CASRCYP1A2PARP1NR1D1
SCHEMBL15865618 0.84 CYP1A2 (0.36) MRGPRX4CYP1A2PDE5ABRD4AKT1
SCHEMBL23567539 0.83 NR1D1 (0.40) MRGPRX4CASRCYP1A2NR1D1BRD4
SCHEMBL26027560 0.78 MRGPRX4 (0.34) MRGPRX4CASRCYP1A2PARP1NR1D1
SCHEMBL24722606 0.77 MRGPRX4 (0.37) MRGPRX4CASRCYP1A2PARP1NR1D1
SCHEMBL15865619 0.76 KDM4E (0.46) MRGPRX4BRD4
SCHEMBL24588392 0.75 MRGPRX4 (0.32) MRGPRX4PARP1BRD4ADORA2A
SCHEMBL30801055 0.75 MRGPRX4 (0.37) MRGPRX4CYP1A2PDE5ABRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8772446-B2 Bifunctional chelating agents NORDION (CANADA) INC. (CA) 2014-07-08 US disclosed
US-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS NORDION (CANADA) INC. 2011-12-22 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-20110313130-A1 BIFUNCTIONAL CHELATING AGENTS FCGRT, C1QBP, H1-2 MRGPRX4 983/4885CASR 1432/4885CYP1A2 2997/4885

“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.