SCHEMBL4057549

SCHEMBL4057549

CC(C)(C)c1ccc(C=O)c(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 5/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
MEN1 O00255 1/20 0.38
PKM P14618 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.36
PLA2G1B P04054 1/20 0.36
NFKB1 P19838 1/20 0.36
CASP3 P42574 1/20 0.36

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
SCHEMBL31426976 0.84 TDP1 (0.41) TDP1CYP2C19ALDH1A1MAPTGAA
SCHEMBL20379836 0.84 TDP1 (0.41) TDP1CYP2C19ALDH1A1MAPTGAA
SCHEMBL11330982 0.83 TTR (0.48) TDP1CYP2C19ALDH1A1MAPTGAA
SCHEMBL11882755 0.83 TTR (0.48) TDP1CYP2C19ALDH1A1MAPTGAA
SCHEMBL356134 0.81 MAPT (0.44) TDP1CYP2C19ALDH1A1MAPTGAA
SCHEMBL24601674 0.80 TDP1 (0.47) TDP1RXRARXRBRXRGAKR1C2
SCHEMBL4068070 0.80 TDP1 (0.47) TDP1CYP2C19ALDH1A1MAPTGAA
SCHEMBL31426981 0.80 TDP1 (0.47) TDP1RXRARXRBRXRGAKR1C2
SCHEMBL952008 0.80 TDP1 (0.55) TDP1ALDH1A1MAPTMEN1KMT2A
SCHEMBL3146888 0.80 ALDH1A1 (0.43) TDP1CYP2C19ALDH1A1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP claimed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 WO claimed
US-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES SAMSUNG ELECTRONICS CO., LTD. (KR) 2022-07-07 US disclosed
CN-100577651-C Lactam compound and medicinal use thereof AJINOMOTO KK 2010-01-06 CN disclosed
US-7632830-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2009-12-15 US disclosed
EP-1346993-B1 LACTAM COMPOUNDS AND MEDICAL USE THEREOF AJINOMOTO KK (JP) 2009-10-21 EP disclosed
US-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE CANON KABUSHIKI KAISHA (JP) 2009-05-28 US disclosed
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2008-04-24 US disclosed
US-7326701-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2008-02-05 US disclosed
CN-1911915-A Lactam compound and medicinal use thereof AJINOMOTO KK (JP) 2007-02-14 CN disclosed
US-7153850-B2 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-12-26 US disclosed
US-20060189597-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-08-24 US disclosed
CN-1269818-C Lactam compounds and pharmaceutical use thereof AJINOMOTO KK (JP) 2006-08-16 CN disclosed
CN-1487940-A Lactam compounds and pharmaceutical use thereof ֮����ʽ���� 2004-04-07 CN disclosed
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof AJINOMOTO CO. INC (JP) 2004-03-11 US disclosed
EP-1390336-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2004-02-25 EP disclosed
EP-1346993-A1 LACTAM COMPOUNDS AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2003-09-24 EP disclosed
WO-2002096849-A1 METHOD FOR PRODUCING AROMATIC ALDEHYDES AND KETONES BY THE CATALYTIC OXIDATION OF ALKYL-AROMATIC COMPOUNDS DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2002-12-05 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 (5 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-20060189597-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 TDP1 4390/4885CYP2C19 2211/4885ALDH1A1 911/4885
US-20220213113-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUNDS, FLUORESCENCE EMITTERS, ORGANIC ELECTROLUMINESCENT DEVICES, AND MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES NCL, NOC2L, NOLC1 TDP1 1105/4885CYP2C19 4124/4885ALDH1A1 3824/4885
US-20040048847-A1 Lactam compounds and pharmaceutical use thereof SLC2A4, SLC2A8, SLC2A1 TDP1 4390/4885CYP2C19 2211/4885ALDH1A1 911/4885
US-20090134785-A1 ORGANOMETALLIC COMPLEX, ORGANIC LIGHT-EMITTING ELEMENT USING SAME, AND DISPLAY DEVICE MNS1, NOM1, AP3M1 TDP1 2487/4885CYP2C19 3929/4885ALDH1A1 1348/4885
US-20080096862-A1 LACTAM COMPOUNDS AND PHARMACEUTICAL USE THEREOF SLC2A4, SLC2A8, SLC2A1 TDP1 4390/4885CYP2C19 2211/4885ALDH1A1 911/4885

“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.