SCHEMBL10073888

SCHEMBL10073888

[C-]#[N+][C@@]1(C(C)(C)C)C[C@H]1c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 20/20 0.44
MAOA P21397 19/20 0.44
MAOB P27338 19/20 0.44

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
SCHEMBL10073893 0.76 LMNA (0.43) KDM1A
SCHEMBL10073886 0.69 KDM1A (0.53) KDM1AMAOAMAOB
SCHEMBL10073913 0.67 KDM1A (0.55) KDM1AMAOAMAOB
SCHEMBL10073914 0.66 RORC (0.40) KDM1AMAOAMAOB
SCHEMBL4331068 0.65 KDM1A (0.67) KDM1AMAOAMAOB
Ammonia Solution, Strong SCHEMBL11017865 0.63 KDM1A (0.64) KDM1AMAOAMAOB
SCHEMBL10573931 0.63 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL11054309 0.63 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL10573928 0.63 KDM1A (0.57) KDM1AMAOAMAOB
SCHEMBL23465403 0.62 KDM1A (1.00) KDM1AMAOAMAOB

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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates NATIONAL SCIENCE FOUNDATION 2012-02-23 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-20120046455-A1 Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates PPOX, POR, PCCA KDM1A 2149/4885MAOA 173/4885MAOB 444/4885

“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.