SCHEMBL13355355

SCHEMBL13355355

CC(C)(CCCCc1ccccc1)[Si](O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
POLB P06746 1/20 0.41
MAOA P21397 1/20 0.40
SIGMAR1 Q99720 3/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAOB P27338 1/20 0.39
HTR2A P28223 1/20 0.39
IGF1R P08069 1/20 0.39
ALOX15 P16050 1/20 0.39
FAAH O00519 3/20 0.38
CES1 P23141 3/20 0.38
ALOX5 P09917 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
SCHEMBL16091697 0.84 MAOB (0.50) LTB4RPOLBMAOASIGMAR1MAOB
SCHEMBL8482393 0.83 SIGMAR1 (0.33) LTB4RPOLBSIGMAR1
SCHEMBL8136342 0.83 GAA (0.39) SIGMAR1CES1
SCHEMBL8480265 0.81 SIGMAR1 (0.32) SIGMAR1
SCHEMBL15686638 0.81 KCNH3 (0.33) LTB4RSIGMAR1
SCHEMBL2631387 0.81 KCNH3 (0.33) LTB4RSIGMAR1
SCHEMBL13930235 0.81 KIF11 (0.39) MAOASIGMAR1MAPTHTR2A
SCHEMBL15686651 0.81 KCNH3 (0.33) LTB4RSIGMAR1
SCHEMBL18215221 0.81 GAA (0.38) SIGMAR1CES1
SCHEMBL13871008 0.81 GAA (0.38) SIGMAR1CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7718603-B1 conjugate of active peptidyl fragment having a high affinity with mitochondria and a scavenger for reaction oxygen species, or an enzyme inhibitor of nitric oxide synthase; for drug delivering drugs, or biodrugs of various types; drug targets for treating hemorrhagic shock, cell death apoptosis UNIVERSITY OF PITTSBURGH-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2010-05-18 US disclosed
US-20070161573-A1 SELECTIVE TARGETING AGENTS FOR MITOCHONDRIA NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-07-12 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-20070161573-A1 SELECTIVE TARGETING AGENTS FOR MITOCHONDRIA HSPE1, HSPA9, AIFM1 LTB4R 2236/4885L3MBTL1 979/4885POLB 609/4885

“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.