SCHEMBL30288243

SCHEMBL30288243

CC(C)(C)CCNc1cc(Cl)cc(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
GRN P28799 2/20 0.37
SORT1 Q99523 2/20 0.37
CCKBR P32239 1/20 0.37
RAPGEF4 Q8WZA2 1/20 0.34
ICMT O60725 1/20 0.34
KCNH2 Q12809 2/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33
HRH4 Q9H3N8 2/20 0.33
HRH2 P25021 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FDPS P14324 1/20 0.32
CACNA1H O95180 1/20 0.32
CACNA1I Q9P0X4 1/20 0.32

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
SCHEMBL31477868 0.84 HRH4 (0.37) CYP1A2CYP2C9CYP2C19GAAHRH4
SCHEMBL11526524 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1CYP1A2CYP2C9HPGD
SCHEMBL12932880 0.78 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP2C9HPGD
SCHEMBL5026036 0.76 CYP3A4 (0.51) ALDH1A1CYP1A2CYP2C9CYP2C19RAPGEF4
SCHEMBL10994173 0.76 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2CYP2C9HPGD
SCHEMBL4546556 0.73 ALDH1A1 (0.46) ALDH1A1L3MBTL1CYP1A2CYP2C9HPGD
SCHEMBL11528767 0.72 THRB (0.52) ALDH1A1L3MBTL1CYP1A2CYP2C9HPGD
SCHEMBL30288240 0.72 ALDH1A1 (0.39) ALDH1A1L3MBTL1CYP1A2CYP2C9HPGD
SCHEMBL21723459 0.71 ALDH1A1 (0.44) ALDH1A1L3MBTL1CYP1A2CYP2C9HPGD
SCHEMBL30288271 0.71 ALDH1A1 (0.37) ALDH1A1L3MBTL1CYP1A2CYP2C9HPGD

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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS FLATLEY DISCOVERY LAB, LLC 2023-02-23 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-20230055237-A1 COMPOUNDS AND METHODS FOR THE TREATMENT OF CYSTIC FIBROSIS CFTR, MPST, CRAT ALDH1A1 215/4885L3MBTL1 4267/4885CYP1A2 634/4885

“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.