SCHEMBL27090502

SCHEMBL27090502

COc1cc(OC)c(C=NC(C)(C)C)c(OC)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
ERN1 O75460 1/20 0.44
CYP1B1 Q16678 5/20 0.44
CYP1A1 P04798 4/20 0.43
CYP1A2 P05177 4/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
AURKA O14965 1/20 0.37
HPGD P15428 1/20 0.36
MAOA P21397 2/20 0.36
CYP3A4 P08684 1/20 0.35

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
SCHEMBL27090463 0.82 LMNA (0.45) LMNAERN1CYP1B1CYP1A1CYP1A2
SCHEMBL27090511 0.79 LMNA (0.42) LMNAERN1CYP1B1CYP1A1CYP1A2
SCHEMBL27090461 0.79 LMNA (0.42) LMNAERN1CYP1B1CYP1A1CYP1A2
SCHEMBL23634786 0.78 LMNA (0.54) LMNAERN1CYP1B1CYP1A1CYP1A2
SCHEMBL28667568 0.76 LMNA (0.53) LMNAERN1CYP1B1CYP1A1CYP1A2
SCHEMBL27090488 0.75 SMN1; SMN2 (0.43) LMNACYP1B1CYP1A1CYP1A2ALDH1A1
Methoxymethane SCHEMBL28676370 0.74 LMNA (0.51) LMNAERN1CYP1B1CYP1A1CYP1A2
SCHEMBL27090471 0.74 LMNA (0.42) LMNAERN1CYP1B1CYP1A1CYP1A2
SCHEMBL27090467 0.73 SMN1; SMN2 (0.46) LMNACYP1A2ALDH1A1HPGDCYP3A4
SCHEMBL18482099 0.73 LMNA (0.50) LMNAERN1CYP1B1CYP1A1CYP1A2

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-20240051897-A1 SYNTHESIS OF COMPLEX 15N-LABELED MOLECULES THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK 2024-02-15 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 (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-20240051897-A1 SYNTHESIS OF COMPLEX 15N-LABELED MOLECULES NCLN, NCL, NDUFV3 LMNA 1483/4885ERN1 1427/4885CYP1B1 1009/4885

“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.