SCHEMBL51280

SCHEMBL51280

CCCCC(CCCC)(CNC=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 3/20 0.38
ADH1C P00326 3/20 0.38
ADH1A P07327 3/20 0.38
ADH7 P40394 3/20 0.38
KIF11 P52732 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
EPHX1 P07099 1/20 0.36
ADH4 P08319 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KCNN4 O15554 1/20 0.34
SIGMAR1 Q99720 2/20 0.33
EGFR P00533 1/20 0.33
HDAC3 O15379 1/20 0.33
ALDH1A1 P00352 1/20 0.33
EBP Q15125 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL6560515 0.78 KIF11 (0.42) KIF11KCNN4SIGMAR1KMT2A
SCHEMBL9514978 0.78 KIF11 (0.44) KIF11LMNAGAAEPHX1EGFR
SCHEMBL25298896 0.75 KIF11 (0.41) KIF11KCNN4SIGMAR1KMT2A
SCHEMBL9447607 0.75 KIF11 (0.41) KIF11KCNN4SIGMAR1KMT2A
SCHEMBL56125 0.75 ADH1B (0.50) ADH1BADH1CADH1AADH7KIF11
SCHEMBL27956680 0.73 KIF11 (0.40) KIF11KCNN4SIGMAR1EBPKMT2A
SCHEMBL5425018 0.73 SIGMAR1 (0.41) KIF11GAATDP1SIGMAR1EBP
SCHEMBL5180404 0.73 SIGMAR1 (0.42) KIF11GAAKCNN4SIGMAR1EBP
SCHEMBL51317 0.72 TAAR1 (0.47) KIF11KCNN4SIGMAR1
SCHEMBL9852888 0.72 ADH1B (0.45) ADH1BADH1CADH1AADH7KCNN4

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 13 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
EP-1891192-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY The Procter and Gamble Company (US) 2008-02-27 EP disclosed
US-20070197421-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2007-08-23 US disclosed
WO-2007001261-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO 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 ADH1B 915/4885ADH1C 1854/4885ADH1A 2575/4885
US-20060287210-A1 Organic catalyst with enhanced enzyme compatibility AOX1, ACHE, MPO ADH1B 805/4885ADH1C 466/4885ADH1A 952/4885
US-20110319622-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT ADH1B 915/4885ADH1C 1854/4885ADH1A 2575/4885

“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.