SCHEMBL7086769

SCHEMBL7086769

CC(C)(C)[Si](C)(C)OCCCOC(=O)CC(=O)OCCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DUT P33316 2/20 0.37
MGAM O43451 1/20 0.35
GAA P10253 1/20 0.35
SI P14410 1/20 0.35
MGAM2 Q2M2H8 1/20 0.35
FAAH O00519 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NAAA Q02083 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TSHR P16473 2/20 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
SCHEMBL19460464 0.85 DUT (0.39) DUT
SCHEMBL3799853 0.84 DUT (0.39) DUTMGAMGAASIMGAM2
SCHEMBL19460463 0.83 DUT (0.38) DUT
SCHEMBL21121956 0.82 EPHX1 (0.49) DUT
SCHEMBL17211882 0.82 TSHR (0.51) DUTTDP1POLBTSHR
SCHEMBL13320016 0.82 MGAM (0.33) DUTMGAMGAASIMGAM2
SCHEMBL23067127 0.81 LMNA (0.38) DUTTSHR
SCHEMBL19543597 0.81 DUT (0.37) DUT
SCHEMBL28538333 0.79 DUT (0.43) DUT
SCHEMBL16696044 0.79 ALDH1A1 (0.47) DUTGAATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030027870-A1 Fullerene derivatives that modulate nitric oxide synthase and clamodulin activity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-02-06 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-20030027870-A1 Fullerene derivatives that modulate nitric oxide synthase and clamodulin activity NOS1, NOS2, NOS3 DUT 3314/4885MGAM 3728/4885GAA 3627/4885

“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.