SCHEMBL24324388

SCHEMBL24324388

CC(C)(C)c1ccoc1C(C)(C)S

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CA2 P00918 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
SCHEMBL1106089 0.83 CA2 (0.33) CA2
SCHEMBL18235546 0.77 CA2 (0.30) CA2
SCHEMBL24684889 0.74 NPC1 (0.32)
SCHEMBL27841857 0.70
SCHEMBL802241 0.69 KDM4E (0.38) CA2
SCHEMBL18235325 0.68
SCHEMBL16682774 0.67 CA2 (0.42) CA2
SCHEMBL27907887 0.67 CA2 (0.32) CA2
SCHEMBL24499191 0.65 MAPT (0.32)
SCHEMBL9937995 0.65

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-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA EMPATHBIO, INC. (US) 2024-02-27 US disclosed
US-20230227421-A1 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA JMD PHARMA CREATIVITY, LLC 2023-07-20 US disclosed
WO-2022067100-A2 PLK1 POLO BOX DOMAIN INHIBITOR AND METHOD OF TREATING CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2022-03-31 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-20230227421-A1 NITRIC OXIDE RELEASING PRODRUGS OF MDA AND MDMA NOS1, NOS3, NOS2 CA2 4040/4885
US-11912680-B2 Nitric oxide releasing prodrugs of MDA and MDMA NOS1, NOS3, NOS2 CA2 4040/4885

“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.