Sugi Predict

Sugi Predict / Compounds / SCHEMBL51609

SCHEMBL51609

SCHEMBL51609

Cc1cccc(CC2(Cc3cccc(C)c3)CN(CCCS(=O)(=O)O)Cc3ccccc32)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ACHE P22303 2/20 0.36
▸ SSTR1 P30872 1/20 0.34
▸ SSTR4 P31391 1/20 0.34
▸ AMPD2 Q01433 1/20 0.34
▸ GAA P10253 1/20 0.33
▸ PRMT5 O14744 1/20 0.33
▸ WDR77 Q9BQA1 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL51655 0.89 SIGMAR1 (0.34) PRMT5WDR77MEN1
SCHEMBL52067 0.88 HTR7 (0.35) —
SCHEMBL52439 0.82 L3MBTL1 (0.36) ALDH1A1KDM4EGAAPRMT5WDR77
SCHEMBL52356 0.82 CYP3A4 (0.32) ALDH1A1MEN1KMT2A
SCHEMBL52657 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL51395 0.78 ALDH1A1 (0.43) ALDH1A1
SCHEMBL52616 0.77 ALDH1A1 (0.45) ALDH1A1
SCHEMBL51966 0.74 HRH3 (0.37) KDM4EGAAPRMT5WDR77HRH3
SCHEMBL51659 0.74 MEN1 (0.38) MEN1
SCHEMBL51628 0.73 HTR6 (0.33) ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426596-B2 Process of producing bleach boosters BASF AKTIENGESELLSCHAFT (DE) 2013-04-23 — — US disclosed
US-8129531-B2 Using an isoquinoline compound; alkylation of benzonitrile; reduction ofnitrile to an amine; cyclization BASF AKTIENGESELLSCHAFT (DE) 2012-03-06 — — US disclosed
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2011-12-29 — — US disclosed
EP-1891192-B1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY PROCTER & GAMBLE (US) 2009-12-16 — — EP disclosed
US-20090149366-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY MIRACLE GREGORY SCOT 2009-06-11 — — US disclosed
US-20080214819-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-09-04 — — US disclosed
EP-1896561-A2 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2008-03-12 — — EP disclosed
US-20070197421-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2007-08-23 — — US disclosed
WO-2006134144-A2 PROCESS OF PRODUCING BLEACH BOOSTERS BASF AKTIENGESELLSCHAFT (DE) 2006-12-21 — — 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 (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-20080214819-A1 Process of Producing Bleach Boosters SQLE, BCHE, CAT ALDH1A1 1143/4885KDM4E 2632/4885ACHE 9/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT ALDH1A1 1143/4885KDM4E 2632/4885ACHE 9/4885

“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.