SCHEMBL31476408

SCHEMBL31476408

CC1CC(C)(C)Nc2cc([Si](C)(C)c3ccc4c(c3)NC(C)(C)CC4C)ccc21

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.48
▸ HTT P42858 1/20 0.48
▸ PGR P06401 11/20 0.47
▸ AR P10275 11/20 0.42
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NR3C1 P04150 2/20 0.39
▸ NR3C2 P08235 1/20 0.39
▸ MAPT P10636 1/20 0.36

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
SCHEMBL6141613 0.79 ALDH1A1 (0.51) ALDH1A1HTTPGRARMEN1
SCHEMBL6653007 0.78 ALDH1A1 (0.50) ALDH1A1HTTPGRARMEN1
SCHEMBL8518452 0.78 ALDH1A1 (0.50) ALDH1A1HTTPGRARMEN1
SCHEMBL1934505 0.78 ALDH1A1 (0.50) ALDH1A1HTTPGRARMEN1
SCHEMBL11417149 0.78 ALDH1A1 (0.50) ALDH1A1HTTPGRARMEN1
SCHEMBL30973127 0.77 ALDH1A1 (0.60) ALDH1A1HTTPGRARMEN1
SCHEMBL31476366 0.76 ALDH1A1 (0.49) ALDH1A1HTTPGRARMEN1
SCHEMBL8604696 0.75 ALDH1A1 (0.48) ALDH1A1HTTPGRARMEN1
SCHEMBL23183440 0.73 ALDH1A1 (0.55) ALDH1A1HTTPGRARMEN1
SCHEMBL592819 0.73 ALDH1A1 (0.55) ALDH1A1HTTPGRARMEN1

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-20250115628-A1 FLUORINATED FLUOROPHORES HOWARD HUGHES MEDICAL INSTITUTE 2025-04-10 — — 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-20250115628-A1 FLUORINATED FLUOROPHORES PFAS, FLI1, ARFGEF1 ALDH1A1 1109/4885HTT 542/4885PGR 4291/4885

“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.

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