SCHEMBL3965671

SCHEMBL3965671

CC(C)(Br)C(=O)OC/C=C\COC(=O)C(C)(C)Br

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.40
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31

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
SCHEMBL13644865 1.00 TK1 (0.40) TK1POLBGAANPSR1CYP4F2
SCHEMBL2440148 0.89 TK1 (0.34) TK1
SCHEMBL2440145 0.89 TK1 (0.34) TK1
SCHEMBL9908988 0.88 ACLY (0.43)
SCHEMBL463385 0.82 CYP3A4 (0.42) GAANPSR1
SCHEMBL30542157 0.80 TK1 (0.49) TK1POLBGAANPSR1CYP4F2
SCHEMBL28750522 0.78 MMP1 (0.49) POLB
SCHEMBL28750523 0.78 MMP1 (0.49) POLB
SCHEMBL36866 0.77 POLB (0.41) POLBGAANPSR1
SCHEMBL36821 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440765-B2 Nanostructured polymer membranes for selective alcohol transport THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2013-05-14 US disclosed
US-20120142865-A1 NANOSTRUCTURED POLYMER MEMBRANES FOR SELECTIVE ALCOHOL TRANSPORT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-06-07 US disclosed
WO-2011112796-A2 NANOSTRUCTURED POLYMER MEMBRANES FOR SELECTIVE ALCOHOL TRANSPORT THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-09-15 WO disclosed
EP-1169364-B1 NOVEL ABA TRIBLOCK AND DIBLOCK COPOLYMERS AND METHODS OF PREPARING THE SAME CALIFORNIA INST OF TECHN (US) 2009-07-29 EP disclosed
US-6696536-B2 BY USING A RING OPENING METATHESIS POLYMERIZATION (ROMP) OF A CYCLOALKENE AND CHAIN TRANSFER AGENT TO FORM A TELECHELIC POLYMER, FOLLOWED BY AN ATOM TRANSFER RADICAL POLYMERIZATION (ATRP) REACTION WITH ANOTHER MONOMER SUCH AS STYRENE CALIFORNIA INSTITUTE OF TECHNOLOGY 2004-02-24 US disclosed
US-20030013825-A1 Novel ABA triblock and diblock copolymers and methods of preparing the same CALIFORNIA INSTITUTE OF TECHNOLOGY 2003-01-16 US disclosed
US-6410666-B1 CONTACTING A CYCLOALKENE WITH CHAIN TRANSFER AGENT IN PRESENCE OF METATHESIS CATALYST FORMING TELECHELIC POLYMER; REACTING WITH ALKENE CALIFORNIA INSTITUTE OF TECHNOLOGY 2002-06-25 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-20120142865-A1 NANOSTRUCTURED POLYMER MEMBRANES FOR SELECTIVE ALCOHOL TRANSPORT SLC6A11, PCNA, ABCB11 TK1 2530/4885POLB 500/4885GAA 4401/4885

“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.