SCHEMBL5032172

SCHEMBL5032172

COCCOCCOCCOCC(N)=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.39
CES2 O00748 2/20 0.34
CYP3A4 P08684 2/20 0.34
ABCB11 O95342 1/20 0.34
ADRA2B P18089 1/20 0.34
OPRD1 P41143 1/20 0.34
SCN5A Q14524 1/20 0.34
TSHR P16473 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NAMPT P43490 1/20 0.32
DDAH1 O94760 1/20 0.32
CHEK1 O14757 1/20 0.31
EPHX2 P34913 2/20 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
SCHEMBL20231745 1.00 CA2 (0.39) CA2CES2CYP3A4ABCB11ADRA2B
SCHEMBL20323861 1.00 CA2 (0.39) CA2CES2CYP3A4ABCB11ADRA2B
SCHEMBL2840008 1.00 CA2 (0.39) CA2CES2CYP3A4ABCB11ADRA2B
SCHEMBL20234834 1.00 CA2 (0.39) CA2CES2CYP3A4ABCB11ADRA2B
SCHEMBL1327135 1.00 CA2 (0.39) CA2CES2CYP3A4ABCB11ADRA2B
SCHEMBL3238976 1.00 CA2 (0.39) CA2CES2CYP3A4ABCB11ADRA2B
SCHEMBL1477867 0.98
Hydrochloric Acid SCHEMBL29086086 0.95 CA2 (0.35) CA2CES2CYP3A4ABCB11ADRA2B
SCHEMBL20323910 0.94 CES2 (0.39) CA2CES2CYP3A4ABCB11ADRA2B
SCHEMBL27365601 0.94 CES2 (0.39) CA2CES2CYP3A4ABCB11ADRA2B

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-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES YALE UNIVERSITY 2023-01-05 US disclosed
EP-2500729-A1 Characterization of biochips containing self-assembled monolayers The University of Chicago (US) 2012-09-19 EP disclosed
US-20080159954-A1 METAL CHELATES HAVING A PERFLUORINATED PEG RADICAL, PROCESSES FOR THEIR PREPARATION, AND THEIR USE BAYER INTELLECTUAL PROPERTY GMBH (DE) 2008-07-03 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 (2 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-20080159954-A1 METAL CHELATES HAVING A PERFLUORINATED PEG RADICAL, PROCESSES FOR THEIR PREPARATION, AND THEIR USE TFRC, FCGRT, SLC39A14 CA2 3593/4885CES2 1139/4885CYP3A4 1958/4885
US-20230000994-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF RAPIDLY ACCELERATED FIBROSARCOMA POLYPEPTIDES CRBN, ARAF, VHL CA2 4045/4885CES2 3556/4885CYP3A4 4716/4885

“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.