SCHEMBL20555488

SCHEMBL20555488

CN1CC(O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)CCC1=O

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.47
SRD5A2 P31213 2/20 0.40
BACE1 P56817 1/20 0.38
BRD4 O60885 5/20 0.36
SMYD2 Q9NRG4 2/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
ACSS2 Q9NR19 2/20 0.33
TACR1 P25103 1/20 0.32
CNR2 P34972 1/20 0.32
CYP11B2 P19099 1/20 0.32

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
SCHEMBL31441697 0.86 BRD4 (0.44) SRD5A1BACE1BRD4SMYD2
SCHEMBL31441735 0.86 BRD4 (0.44) SRD5A1BACE1BRD4SMYD2
SCHEMBL31624781 0.84 SMYD2 (0.36) SRD5A1BACE1SMYD2
SCHEMBL20555296 0.84 NPC1 (0.37) SRD5A1BACE1SMYD2NPC1RAB9A
SCHEMBL16401254 0.84 BACE1 (0.36) SRD5A1BACE1SMYD2NPC1RAB9A
SCHEMBL1444038 0.80 BACE1 (0.43) BACE1SMYD2
SCHEMBL38652156 0.80 RORC (0.41) BACE1
SCHEMBL16409338 0.80 RORC (0.41) BACE1
SCHEMBL31441620 0.78 BRD4 (0.35) BACE1BRD4SMYD2
SCHEMBL21827847 0.78 BACE1 (0.40) BACE1SMYD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2022-04-21 US disclosed
US-11214565-B2 Compound, compositions, and methods DENALI THERAPEUTICS INC. (US) 2022-01-04 US disclosed
US-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. 2018-11-15 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 (3 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-20180327391-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, MAPT SRD5A1 3892/4885SRD5A2 4248/4885BACE1 17/4885
US-20220119371-A1 COMPOUND, COMPOSITIONS, AND METHODS LRRK2, PARK7, SNCA SRD5A1 3904/4885SRD5A2 4262/4885BACE1 16/4885
US-11214565-B2 Compound, compositions, and methods LRRK2, PARK7, MAPT SRD5A1 3892/4885SRD5A2 4248/4885BACE1 17/4885

“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.