SCHEMBL26968009

SCHEMBL26968009

COC(=O)C12CC(C(=O)OC)(C1)C2Br

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 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
SCHEMBL29278748 0.92 MEN1 (0.33) NPSR1LMNAMEN1KMT2A
SCHEMBL12919608 0.82 NPSR1 (0.41) NPSR1LMNAMEN1KMT2ATSHR
SCHEMBL15313392 0.80 NPSR1 (0.39) NPSR1LMNAMEN1KMT2AMAPT
SCHEMBL26967968 0.76 NPSR1 (0.34) NPSR1LMNAMEN1KMT2AMAPT
SCHEMBL26967985 0.76 NPSR1 (0.34) NPSR1LMNAMEN1KMT2AMAPT
SCHEMBL26967964 0.73 CYP3A4 (0.36) NPSR1LMNAMEN1KMT2ATSHR
SCHEMBL11785043 0.72
SCHEMBL13769770 0.72 CYP4F2 (0.35) NPSR1LMNATSHR
SCHEMBL21777770 0.71 MEN1 (0.33) NPSR1LMNAMEN1KMT2AMAPT
SCHEMBL26967988 0.70 MEN1 (0.33) NPSR1LMNAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360125-A9 2-SUBSTITUTED BICYCLO[1.1.1]PENTANES THE TRUSTEES OF PRINCETON UNIVERSITY 2024-10-31 US disclosed
US-20240150353-A1 2-SUBSTITUTED BICYCLO[1.1.1]PENTANES UNIV PRINCETON (US) 2024-05-09 US disclosed
CN-117500778-A 2-substituted bicyclo [1.1.1] pentanes 普林斯顿大学保管委员会 2024-02-02 CN disclosed
EP-4294784-A1 2-SUBSTITUTED BICYCLO[1.1.1]PENTANES The Trustees of Princeton University (US) 2023-12-27 EP disclosed
WO-2022178559-A1 2-SUBSTITUTED BICYCLO[1.1.1]PENTANES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2022-08-25 WO 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 (2 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-20240360125-A9 2-SUBSTITUTED BICYCLO[1.1.1]PENTANES CYP1B1, BMP2, CCR1 NPSR1 1855/4885LMNA 1409/4885MEN1 2139/4885
US-20240150353-A1 2-SUBSTITUTED BICYCLO[1.1.1]PENTANES CYP1B1, BMP2, CCR1 NPSR1 1855/4885LMNA 1409/4885MEN1 2139/4885

“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.