SCHEMBL2221201

SCHEMBL2221201

CC(C)(C)c1cc(/C=N\CCC/N=C\c2cc(C(C)(C)C)cc(C(C)(C)C)c2O)c(O)c(C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.49
PTGS2 P35354 4/20 0.49
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
HTT P42858 1/20 0.40
HIF1A Q16665 5/20 0.39
NR5A2 O00482 1/20 0.39
NR5A1 Q13285 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL2221207 1.00 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL29370004 1.00 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL13321375 1.00 ALOX5 (0.49) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL29535850 0.94 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL29785796 0.94 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL3998710 0.94 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL3998711 0.94 ALOX5 (0.51) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL23644507 0.93 ALOX5 (0.46) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL18489625 0.93 ALOX5 (0.46) ALOX5PTGS2SMN1; SMN2KDM4EMEN1
SCHEMBL3012002 0.92 ALOX5 (0.50) ALOX5PTGS2SMN1; SMN2KDM4EMEN1

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-9242955-B2 Synthesis of cyclic carbonates UNIVERSITY OF YORK (GB) 2016-01-26 US disclosed
US-20130030144-A1 STAR POLYMERS HAVING CONTROLLED TACTICITY AND METHODS OF MAKING SAME SHAVER MICHAEL P (CA) 2013-01-31 US disclosed
EP-2146977-B1 SYNTHESIS OF CYCLIC CARBONATES IN THE PRESENCE OF DIMERIC ALUMINIUM (SALEN) CATALYSTS UNIV NEWCASTLE (GB) 2012-11-14 EP disclosed
WO-2011082479-A1 STAR POLYMERS HAVING CONTROLLED TACTICITY AND METHODS OF MAKING SAME UNIVERSITY OF PRINCE EDWARD ISLAND (CA) 2011-07-14 WO disclosed
US-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES UNIVERSITY OF NEWCASTLE UPON TYNE (GB) 2010-05-27 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-20100130752-A1 SYNTHESIS OF CYCLIC CARBONATES CA2, SCO2, CA7 ALOX5 137/4885PTGS2 339/4885SMN1; SMN2 3674/4885

“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.