SCHEMBL23345429

SCHEMBL23345429

Cn1ccc(OCS(C)(C)C)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.37
CYP19A1 P11511 1/20 0.37
KMT2A Q03164 1/20 0.34
KEAP1 Q14145 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HCRTR2 O43614 1/20 0.31
JMJD6 Q6NYC1 3/20 0.31
SCN4A P35499 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TSHR P16473 1/20 0.30
ABL1 P00519 1/20 0.30
NOTUM Q6P988 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
SCHEMBL22943275 0.78 ALDH1A1 (0.35) KMT2AJMJD6ALDH1A1SMN1; SMN2TSHR
SCHEMBL2629335 0.78
SCHEMBL22943015 0.77 DYRK1A (0.36)
SCHEMBL7810321 0.76
SCHEMBL21468656 0.74 KDM1A (0.38) KDM1ACYP19A1KMT2AKEAP1JMJD6
SCHEMBL18222561 0.73 CYP19A1 (0.40) KDM1ACYP19A1KMT2AKEAP1PDE10A
SCHEMBL18222497 0.73 CYP19A1 (0.44) KDM1ACYP19A1KMT2AKEAP1JMJD6
SCHEMBL17662643 0.73 JMJD6 (0.43) KDM1ACYP19A1KMT2AKEAP1HCRTR2
SCHEMBL23345448 0.72 CYP19A1 (0.39) KDM1ACYP19A1KMT2AKEAP1JMJD6
SCHEMBL12970421 0.70 PKM (0.59) KDM1AKMT2AJMJD6SMN1; SMN2

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-20210139514-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED 2021-05-13 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-20210139514-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM1A 4635/4885CYP19A1 4865/4885KMT2A 4654/4885

“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.