SCHEMBL25811538

SCHEMBL25811538

C[Si](C)(C)CCOC(=O)n1ccnc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TBXAS1 P24557 4/20 0.33
EGLN3 Q9H6Z9 1/20 0.32
CYP24A1 Q07973 1/20 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
SCHEMBL12016623 0.86 ALDH1A1 (0.39) AHRTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL2899421 0.83 AHR (0.40) AHRTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL12016622 0.82 TDP1 (0.40) AHRTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL12016620 0.82 TDP1 (0.44) AHRTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL10299924 0.81 CYP24A1 (0.36) AHRTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL12467754 0.81 ALDH1A1 (0.36) AHRTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL10118389 0.81 TBXAS1 (0.37) AHRTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL12016625 0.81 TDP1 (0.42) TDP1ALDH1A1TBXAS1EGLN3
SCHEMBL15464597 0.81 ALDH1A1 (0.36) AHRTDP1ALDH1A1CYP1A2CYP2D6
SCHEMBL12016624 0.81 ALDH1A1 (0.36) AHRTDP1ALDH1A1CYP1A2CYP2D6

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-20230220381-A1 DNA-ENCODED FUNCTIONALIZED APTAMERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2023-07-13 US disclosed
US-20230220381-A1 DNA-ENCODED FUNCTIONALIZED APTAMERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2023-07-13 US disclosed
US-20230220381-A1 DNA-ENCODED FUNCTIONALIZED APTAMERS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING / MCGILL UNIVERSITY (CA) 2023-07-13 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-20230220381-A1 DNA-ENCODED FUNCTIONALIZED APTAMERS AS3MT, DNMT1, POLM AHR 3663/4885TDP1 154/4885ALDH1A1 2051/4885

“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.