SCHEMBL1733644

SCHEMBL1733644

CC(C)(C)[Si](OCC#CCCBr)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.31
CYP3A4 P08684 1/20 0.31
HTT P42858 1/20 0.31
ALK Q9UM73 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
SCHEMBL10422864 0.89 SMYD2 (0.31) SMYD2ALK
SCHEMBL1733172 0.85 SMYD2 (0.33) SMYD2SMN1; SMN2CYP3A4HTTALK
SCHEMBL31092036 0.83 SMYD2 (0.37) SMYD2SMN1; SMN2CYP3A4HTTALK
SCHEMBL542769 0.81 SMYD2 (0.34) SMYD2SMN1; SMN2CYP3A4HTTALK
SCHEMBL17093480 0.81 SMYD2 (0.34) SMYD2SMN1; SMN2CYP3A4HTTALK
SCHEMBL3638318 0.81 SMYD2 (0.36) SMYD2SMN1; SMN2CYP3A4HTTALK
SCHEMBL10422857 0.80 KDM4E (0.35) SMYD2CYP3A4ALK
SCHEMBL31076237 0.79 SMYD2 (0.35) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL19331681 0.77 SMYD2 (0.33) SMYD2SMN1; SMN2CYP3A4HTT
SCHEMBL10422869 0.77 SMYD2 (0.32) SMYD2SMN1; SMN2CYP3A4HTT

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-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 US disclosed
US-8222257-B2 Phosphono-pent-2-en-1-yl nucleosides and analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-07-17 US disclosed
EP-1866319-B1 PHOSPHONO-PENT-2-EN-1-YL NUCLEOSIDES AND ANALOGS UNIV CALIFORNIA (US) 2011-11-23 EP disclosed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 US disclosed
US-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-08-27 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-20090215726-A1 Phosphono-Pent-2-en-1-yl Nucleosides and Analogs PNP, TYMP, ENPP1 SMYD2 3961/4885SMN1; SMN2 367/4885CYP3A4 4124/4885

“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.