SCHEMBL171062

SCHEMBL171062

CCCCCC(CCC)COCC(O)CCl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
LPAR5 Q9H1C0 1/20 0.34
GPR84 Q9NQS5 5/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
FFAR4 Q5NUL3 1/20 0.33
FFAR1 O14842 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL8091775 0.95 USP2 (0.44) USP2HTTLMNACYP3A4CYP1A2
SCHEMBL8078612 0.95 USP2 (0.44) USP2HTTLMNACYP3A4CYP1A2
SCHEMBL1202052 0.84 CYP3A4 (0.50) USP2HTTLMNACYP3A4L3MBTL1
SCHEMBL172427 0.84 USP2 (0.58) USP2HTTLMNACYP3A4CYP1A2
SCHEMBL101110 0.83 LMNA (0.46) LMNACYP3A4L3MBTL1ALDH1A1
SCHEMBL14894028 0.83 USP2 (0.56) USP2HTTLMNACYP3A4CYP1A2
SCHEMBL18327082 0.81 LMNA (0.50) USP2LMNACYP3A4GPR84L3MBTL1
SCHEMBL14957670 0.81 LMNA (0.50) USP2LMNACYP3A4GPR84L3MBTL1
SCHEMBL20253213 0.81 LMNA (0.50) USP2LMNACYP3A4GPR84L3MBTL1
SCHEMBL3360823 0.81 USP2 (0.41) USP2HTTCYP3A4CYP1A2CYP2C19

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1896420-B1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2017-01-18 EP disclosed
US-20140288309-A1 PROCESS OF PRODUCING BLEACH BOOSTERS BASF SE (DE) 2014-09-25 US disclosed
EP-1549631-B1 Alkyl glycidol carbonates as co-surfactants BASF SE (DE) 2014-01-08 EP disclosed
EP-1891195-B1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY PROCTER & GAMBLE (US) 2012-10-17 EP disclosed
US-8147563-B2 Organic catalyst with enhanced enzyme compatibility THE PROCTER & GAMBLE COMPANY (US) 2012-04-03 US disclosed
EP-1599435-B1 REACTION PRODUCTS OF 2-PROPYLHEPTANOL WITH 1-HALOGEN-2,3-EPOXYPROPANES AND 1-HYDROXY-2,3-EPOXYPROPANE BASF SE (DE) 2012-03-07 EP disclosed
US-20110283463-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY THE PROCTER & GAMBLE COMPANY (US) 2011-11-24 US disclosed
US-8021437-B2 Organic catalyst with enhanced enzyme compatiblity THE PROCTER & GAMBLE COMPANY (US) 2011-09-20 US disclosed
US-20100223737-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBLITY PROCTER & GAMBLE COMPANY, THE 2010-09-09 US disclosed
US-7666903-B2 Reaction products of 2-propylheptanol with 1-halogen-2,3-epoxypropanes and 1-hydroxy-2,3-epoxypropane BASF AKTIENGESELLSCHAFT (DE) 2010-02-23 US disclosed
WO-2009060421-A2 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBLITY THE PROCTER & GAMBLE COMPANY (US) 2009-05-14 WO disclosed
US-20080274879-A1 Process of producing an organic catalyst HILER GEORGE DOUGLAS 2008-11-06 US disclosed
US-20080200682-A1 Process of Producing Bleach Boosters BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
EP-1891195-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY The Procter and Gamble Company (US) 2008-02-27 EP disclosed
US-20070197417-A1 Organic catalyst with enhanced enzyme compatiblity PROCTER & GAMBLE COMPANY, THE 2007-08-23 US disclosed
WO-2007001262-A1 ORGANIC CATALYST WITH ENHANCED ENZYME COMPATIBILITY THE PROCTER & GAMBLE COMPANY (US) 2007-01-04 WO disclosed
EP-1680404-A1 PROCESS FOR PRODUCING DIHYDROISOQUINOLINE ZWITTERIONS The Procter & Gamble Company (US) 2006-07-19 EP disclosed
US-20060089284-A1 Organic catalyst with enhanced enzyme compatibility PROCTER & GAMBLE COMPANY, THE 2006-04-27 US disclosed
US-20050113246-A1 Process of producing an organic catalyst THE PROCTER & GAMBLE COMPANY 2005-05-26 US disclosed
WO-2005047264-A1 PROCESS FOR PRODUCING DIHYDROISOQUINOLINE ZWITTERIONS THE PROCTER & GAMBLE COMPANY (US) 2005-05-26 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-20080200682-A1 Process of Producing Bleach Boosters SQLE, BCHE, CAT USP2 1512/4885HTT 383/4885LMNA 3583/4885
US-20140288309-A1 PROCESS OF PRODUCING BLEACH BOOSTERS SQLE, BCHE, CAT USP2 1512/4885HTT 383/4885LMNA 3583/4885

“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.