SCHEMBL20670747

SCHEMBL20670747

CC(C)(C)COCc1cn(CC(C)(C)C)nn1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.40
CYP19A1 P11511 7/20 0.35
P2RX7 Q99572 1/20 0.34
ALOX5 P09917 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
GGPS1 O95749 1/20 0.33
APP P05067 1/20 0.32
DGAT1 O75907 2/20 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
SCHEMBL20650987 0.87 P2RX7 (0.47) HSP90AB1CYP19A1P2RX7ALOX5GGPS1
SCHEMBL24016423 0.85 HSP90AB1 (0.39) HSP90AB1CYP19A1P2RX7ALOX5LOXL2
SCHEMBL12092344 0.83 NOTUM (0.41) HSP90AB1CYP19A1ALOX5LOXL2GGPS1
SCHEMBL18467076 0.83 HSP90AB1 (0.38) HSP90AB1ALOX5DGAT1
SCHEMBL25908962 0.83 DGAT1 (0.46) HSP90AB1CYP19A1GGPS1DGAT1
SCHEMBL20650985 0.81 CYP19A1 (0.36) HSP90AB1CYP19A1ALOX5LOXL2GGPS1
SCHEMBL15257082 0.79 APP (0.39) HSP90AB1ALOX5APPDGAT1
SCHEMBL17678394 0.78 GGPS1 (0.37) CYP19A1GGPS1
SCHEMBL12092365 0.77 DGAT1 (0.42) HSP90AB1ALOX5DGAT1
SCHEMBL12092354 0.77 DGAT1 (0.42) HSP90AB1ALOX5DGAT1

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-20190023732-A1 OLIGONUCLEOTIDES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-01-24 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-20190023732-A1 OLIGONUCLEOTIDES NSUN3, DCLRE1B, TRDMT1 HSP90AB1 2714/4885CYP19A1 4817/4885P2RX7 784/4885

“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.