SCHEMBL4409735

SCHEMBL4409735

CC1(C)OC2C(=O)C=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.39
MAPK1 P28482 1/20 0.39
ELANE P08246 1/20 0.36
TK1 P04183 7/20 0.34
KIF11 P52732 1/20 0.34
TK2 O00142 5/20 0.31
SLC6A1 P30531 1/20 0.30
TYMP P19971 1/20 0.30
DUT P33316 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL18393090 1.00 CYP3A4 (0.39) CYP3A4MAPK1ELANETK1KIF11
SCHEMBL14929394 0.81
SCHEMBL13702037 0.78 TSHR (0.43) MEN1KMT2A
SCHEMBL14328919 0.78
SCHEMBL14124053 0.76
SCHEMBL23405178 0.75 SMYD2 (0.38) CYP3A4MAPK1
SCHEMBL15685349 0.75 SMYD2 (0.38) CYP3A4MAPK1
SCHEMBL14328899 0.75 SMYD2 (0.38) CYP3A4MAPK1
SCHEMBL19503367 0.75
SCHEMBL19464907 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732902-B1 NUCLEOSIDE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN PHARMACEUTICALS INC (US) 2009-12-30 EP disclosed
US-7405214-B2 Nucleoside derivatives and therapeutic use thereof REXAHN CORPORATION (US) 2008-07-29 US disclosed
EP-1732902-A2 NUCLEOSIDE DERIVATIVES AND THERAPEUTIC USE THEREOF Rexahn Corporation (US) 2006-12-20 EP disclosed
WO-2005097757-A2 NUCLEOSIDE DERIVATIVES AND THERAPEUTIC USE THEREOF REXAHN CORPORATION (US) 2005-10-20 WO disclosed
US-20050222185-A1 Nucleoside derivatives and therapeutic uses therof REXAHN CORPORATION (US) 2005-10-06 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-20050222185-A1 Nucleoside derivatives and therapeutic uses therof TYMP, NUDT1, HPRT1 CYP3A4 4617/4885MAPK1 3530/4885ELANE 698/4885

“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.