SCHEMBL6654801

SCHEMBL6654801

CC(=O)OCC(O)CCCCO

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 4/20 0.53
ALDH1A1 P00352 4/20 0.53
CYP3A4 P08684 3/20 0.53
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
HPGD P15428 1/20 0.53
TP53 P04637 1/20 0.53
MAPK1 P28482 1/20 0.53
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 3/20 0.36
KDM4E B2RXH2 1/20 0.36
DUSP3 P51452 1/20 0.36
RECQL P46063 1/20 0.36
HSD17B10 Q99714 1/20 0.34
PTPN1 P18031 1/20 0.34
GPR84 Q9NQS5 4/20 0.33
PSMD14 O00487 1/20 0.33
PLA2G1B P04054 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
SCHEMBL16146973 0.85 USP2 (0.45) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL15512638 0.82 USP2 (0.37) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL11506586 0.82 ALDH1A1 (0.55) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL10847415 0.82 ALDH1A1 (0.55) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL10007317 0.82 ALDH1A1 (0.55) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL28454145 0.82 ALDH1A1 (0.55) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL10849155 0.82 ALDH1A1 (0.55) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL9329637 0.82 ALDH1A1 (0.55) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL9256250 0.82 USP2 (0.38) USP2ALDH1A1CYP3A4MAPTMEN1
SCHEMBL8037794 0.82 TSHR (0.52) USP2ALDH1A1CYP3A4MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1193005-C Preparation method for amide INT FLAVORS & FRAGRANCES INC (US) 2005-03-16 CN claimed
EP-1182191-B1 Method for making amides INT FLAVORS & FRAGRANCES INC (US) 2004-07-14 EP claimed
US-6437183-B1 REACTING NITRILE COMPOUNDS WITH SULFATE COMPOUNDS IN DIOL OR TRIOL SOLVENT INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-08-20 US claimed
CN-1340499-A Preparation method for amide INT FLAVORS & FRAGRANCES INC (US) 2002-03-20 CN claimed
US-20020028969-A1 Method for making amides INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-03-07 US claimed
EP-1182191-A1 Method for making amides INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2002-02-27 EP claimed
US-6303817-B1 MORE SPECIFICALLY A METHOD OF MAKING BUTANAMIDES IN A NEW PROCESS; REACTION OF NITRILE COMPOUNDS AND A SULFATE COMPOUND INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-10-16 US claimed
US-10407547-B2 Methods of producing compounds from 5-(halomethyl)furfural MICROMIDAS, INC. (US) 2019-09-10 US disclosed
US-20170081470-A1 METHODS OF PRODUCING COMPOUNDS FROM 5-(HALOMETHYL)FURFURAL MICROMIDAS, INC. (US) 2017-03-23 US disclosed
WO-2015175528-A1 METHODS OF PRODUCING COMPOUNDS FROM 5-(HALOMETHYL)FURFURAL MICROMIDAS, INC. (US) 2015-11-19 WO disclosed
CN-1193005-C Preparation method for amide INT FLAVORS & FRAGRANCES INC (US) 2005-03-16 CN disclosed
EP-1182191-B1 Method for making amides INT FLAVORS & FRAGRANCES INC (US) 2004-07-14 EP disclosed
US-6437183-B1 REACTING NITRILE COMPOUNDS WITH SULFATE COMPOUNDS IN DIOL OR TRIOL SOLVENT INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-08-20 US disclosed
CN-1340499-A Preparation method for amide INT FLAVORS & FRAGRANCES INC (US) 2002-03-20 CN disclosed
US-20020028969-A1 Method for making amides INTERNATIONAL FLAVORS & FRAGRANCES INC. 2002-03-07 US disclosed
EP-1182191-A1 Method for making amides INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2002-02-27 EP disclosed
US-6303817-B1 MORE SPECIFICALLY A METHOD OF MAKING BUTANAMIDES IN A NEW PROCESS; REACTION OF NITRILE COMPOUNDS AND A SULFATE COMPOUND INTERNATIONAL FLAVORS & FRAGRANCES INC. 2001-10-16 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-20020028969-A1 Method for making amides NAAA, NIT2, SULT2A1 USP2 2078/4885ALDH1A1 1296/4885CYP3A4 338/4885
US-10407547-B2 Methods of producing compounds from 5-(halomethyl)furfural HDHD5, HPD, DCXR USP2 1413/4885ALDH1A1 1961/4885CYP3A4 555/4885
US-20170081470-A1 METHODS OF PRODUCING COMPOUNDS FROM 5-(HALOMETHYL)FURFURAL HDHD5, HPD, DCXR USP2 1413/4885ALDH1A1 1961/4885CYP3A4 555/4885

“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.