SCHEMBL51628

SCHEMBL51628

CC(C)c1ccc(CC2(Cc3ccc(C(C)C)cc3)CN(CCCS(=O)(=O)O)Cc3cc(C(C)C)ccc32)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.33
ACACB O00763 2/20 0.32
ESR2 Q92731 3/20 0.32
ESR1 P03372 2/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 2/20 0.31
KMT2A Q03164 2/20 0.31
PABPC1 P11940 1/20 0.31
EIF4H Q15056 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TP53 P04637 2/20 0.30
MAPT P10636 2/20 0.30
ALDH1A1 P00352 1/20 0.30
KDM4E B2RXH2 1/20 0.30
USP2 O75604 1/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 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
SCHEMBL52356 0.84 CYP3A4 (0.32) ESR2ESR1KMT2AALDH1A1CYP3A4
SCHEMBL51655 0.78 SIGMAR1 (0.34) LMNACYP3A4MEN1
SCHEMBL51609 0.73 ALDH1A1 (0.38) KMT2AALDH1A1KDM4EMEN1
SCHEMBL52439 0.69 L3MBTL1 (0.36) HTR2CTDP1KMT2ATP53MAPT
SCHEMBL52657 0.68 ALDH1A1 (0.41) ALDH1A1
SCHEMBL51395 0.67 ALDH1A1 (0.43) ALDH1A1
SCHEMBL52616 0.66 ALDH1A1 (0.45) ALDH1A1
SCHEMBL51659 0.65 MEN1 (0.38) HTR2AHTR2CMEN1
SCHEMBL20891233 0.63 HPGD (0.38) HTR2AHTR2CLMNAKMT2ATP53
SCHEMBL2168243 0.62 ALDH1A1 (0.50) HTR2AHTR2CALDH1A1KDM4E

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 11 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-7504371-B2 Organic catalyst with enhanced enzyme compatibility THE PROCTER & GAMBLE COMPANY (US) 2009-03-17 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
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2006-12-21 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 (3 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 HTR6 3003/4885ACACB 386/4885ESR2 2626/4885
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility AOX1, ACHE, MPO HTR6 4138/4885ACACB 1843/4885ESR2 2900/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT HTR6 3003/4885ACACB 386/4885ESR2 2626/4885

“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.