Sugi Predict

Sugi Predict / Compounds / SCHEMBL6731258

SCHEMBL6731258

SCHEMBL6731258

O=C1C2CCCCC2C(=O)N1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.41
▸ HTT P42858 1/20 0.35
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ SMN1; SMN2 Q16637 3/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CYP2C9 P11712 2/20 0.31
▸ CYP2C19 P33261 2/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ STAT3 P40763 1/20 0.31
▸ PPOX P50336 1/20 0.31
▸ TP53 P04637 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
SCHEMBL761658 0.78 ALDH1A1 (0.41) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL13206576 0.78 ALDH1A1 (0.41) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL10715568 0.78 ALDH1A1 (0.45) ALDH1A1HTTGAAHPGDKMT2A
SCHEMBL13239527 0.78 ALDH1A1 (0.41) ALDH1A1HTTRAB9ASMN1; SMN2NPC1
SCHEMBL6222332 0.77 ALDH1A1 (0.43) ALDH1A1HTTGAAHPGDKMT2A
SCHEMBL24763261 0.76 ALDH1A1 (0.39) ALDH1A1HTTGAAHPGDKMT2A
SCHEMBL18626035 0.76 ALDH1A1 (0.39) ALDH1A1HTTGAAHPGDKMT2A
SCHEMBL21389157 0.76 ALDH1A1 (0.39) ALDH1A1HTTGAAHPGDKMT2A
SCHEMBL12552817 0.72 MAPK1 (0.41) ALDH1A1HTTKMT2ARAB9ASMN1; SMN2
SCHEMBL18072219 0.72 POLB (0.41) ALDH1A1HTTGAAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147777-A1 Method for oxidising hydrocarbons RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-07-29 — — US claimed
EP-1390338-A1 METHOD FOR OXIDISING HYDROCARBONS Rhodia Polyamide Intermediates (FR) 2004-02-25 — — EP claimed
WO-2002090309-A1 METHOD FOR OXIDISING HYDROCARBONS RHODIA POLYAMIDE INTERMEDIATES (FR) 2002-11-14 — — WO claimed
US-20040147777-A1 Method for oxidising hydrocarbons RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-07-29 — — US disclosed
US-20040147777-A1 Method for oxidising hydrocarbons RHODIA POLYAMIDE INTERMEDIATES (FR) 2004-07-29 — — US disclosed
CN-1511132-A Method for oxidising hydrocarbons �޵��Ǿ������м��幫˾ 2004-07-07 — — CN disclosed
EP-1390338-A1 METHOD FOR OXIDISING HYDROCARBONS Rhodia Polyamide Intermediates (FR) 2004-02-25 — — EP disclosed
WO-2002090309-A1 METHOD FOR OXIDISING HYDROCARBONS RHODIA POLYAMIDE INTERMEDIATES (FR) 2002-11-14 — — 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 (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-20040147777-A1 Method for oxidising hydrocarbons ALKBH3, HADHB, HADH ALDH1A1 763/4885HTT 857/4885GAA 2674/4885

“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.