SCHEMBL21786322

SCHEMBL21786322

CC(C)C1CCCC(C)(C)C1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL26008037 0.85 IDO1 (0.33) IDO1TDO2
SCHEMBL7075276 0.83 IDO1 (0.32) IDO1TDO2
SCHEMBL17748237 0.82 IDO1 (0.33) IDO1TDO2
SCHEMBL21313314 0.82 IDO1 (0.33) IDO1TDO2
SCHEMBL3875354 0.82 L3MBTL1 (0.40) IDO1TDO2L3MBTL1
SCHEMBL10887105 0.82 IDO1 (0.33) IDO1TDO2
SCHEMBL31367956 0.82 L3MBTL1 (0.40) IDO1TDO2L3MBTL1
SCHEMBL187891 0.82 L3MBTL1 (0.40) IDO1TDO2L3MBTL1
SCHEMBL3872659 0.82 L3MBTL1 (0.40) IDO1TDO2L3MBTL1
SCHEMBL3872657 0.82 L3MBTL1 (0.40) IDO1TDO2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 US disclosed
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN MORPHIC THERAPEUTIC, INC. 2020-03-05 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 (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-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B IDO1 4758/4885TDO2 4778/4885L3MBTL1 4300/4885
US-20200071322-A1 INHIBITING (ALPHA-V)(BETA-6) INTEGRIN ITGB6, ITGA6, ITGAV IDO1 4546/4885TDO2 4872/4885L3MBTL1 935/4885

“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.