SCHEMBL5655063

SCHEMBL5655063

CC(C)C[Si](C)(C)Oc1cc[c]cc1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3580690 0.75 PDK1 (0.47) ALDH1A1TDP1
SCHEMBL317481 0.73 ALDH1A1 (0.56) ALDH1A1TDP1
SCHEMBL4521634 0.72 ALDH1A1 (0.50) ALDH1A1
SCHEMBL17046393 0.70 MAPT (0.49) ALDH1A1TDP1
SCHEMBL16953775 0.69 MEN1 (0.34) ALDH1A1TDP1
SCHEMBL10819050 0.69 ALDH1A1 (0.36) ALDH1A1TDP1
SCHEMBL21268246 0.69 NPC1 (0.39) ALDH1A1
SCHEMBL21268339 0.69 NPC1 (0.50) ALDH1A1
SCHEMBL8177420 0.68 POLB (0.39) ALDH1A1TDP1
SCHEMBL20138635 0.68 SMN1; SMN2 (0.41) ALDH1A1TDP1

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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARMACEUTICALS INC. 2007-11-01 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-20070254917-A1 INTRACELLULAR RECEPTOR MODULATOR COMPOUNDS AND METHODS CASR, GRK2, RYR2 ALDH1A1 4580/4885TDP1 4046/4885

“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.