SCHEMBL1003594

SCHEMBL1003594

O=C(O)CCCc1cc2ccc3cccc4ccc(c1)c2c34

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.68
KMT2A Q03164 4/20 0.64
MEN1 O00255 3/20 0.64
CYP2D6 P10635 2/20 0.58
CYP2C19 P33261 1/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
HDAC3 O15379 1/20 0.56
MAPK1 P28482 1/20 0.56
ADRA1A P35348 1/20 0.56
HDAC4 P56524 1/20 0.56
SLC6A3 Q01959 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HDAC10 Q969S8 1/20 0.56
HDAC11 Q96DB2 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
HDAC9 Q9UKV0 1/20 0.56
HDAC5 Q9UQL6 1/20 0.56

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
SCHEMBL5593603 0.89 KMT2A (0.54) CYP1A2KMT2AMEN1CYP2D6CYP2C19
SCHEMBL14438597 0.85 CYP1A2 (0.49) CYP1A2KMT2AMEN1CYP2D6CYP2C19
SCHEMBL16924677 0.81 TDP1 (0.55) CYP1A2KMT2AMEN1MAPK1HDAC1
SCHEMBL9334268 0.81 KMT2A (0.80) CYP1A2KMT2AMEN1CYP2D6CYP2C19
SCHEMBL30061865 0.81 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19SMN1; SMN2HDAC3
SCHEMBL2318140 0.81 CYP1A2 (1.00) CYP1A2CYP2D6CYP2C19SMN1; SMN2HDAC3
SCHEMBL11032522 0.79 CYP1A2 (0.90) CYP1A2KMT2AMEN1CYP2D6CYP2C19
SCHEMBL29419458 0.79 CYP1A2 (0.90) CYP1A2KMT2AMEN1CYP2D6CYP2C19
SCHEMBL13713632 0.78 AKR1B1 (0.58) CYP1A2KMT2AMEN1CYP2D6MAPT
SCHEMBL29441770 0.78 KMT2A (1.00) CYP1A2KMT2AMEN1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110576146-B Preparation method of coating for sand core for improving casting quality 含山县荣盛机械铸造有限公司 2020-10-23 CN claimed
CN-110576146-A preparation method of coating for sand core for improving casting quality 含山县荣盛机械铸造有限公司 2019-12-17 CN claimed
CN-110576146-B Preparation method of coating for sand core for improving casting quality 含山县荣盛机械铸造有限公司 2020-10-23 CN disclosed
US-10544324-B2 Noncovalent bond-modified carbon structure, and carbon structure/polymer composite comprising same POSCO (KR) 2020-01-28 US disclosed
CN-110576146-A preparation method of coating for sand core for improving casting quality 含山县荣盛机械铸造有限公司 2019-12-17 CN disclosed
US-20160326393-A1 NONCOVALENT BOND-MODIFIED CARBON STRUCTURE, AND CARBON STRUCTURE/POLYMER COMPOSITE COMPRISING SAME POSCO (KR) 2016-11-10 US disclosed
US-20160326393-A1 NONCOVALENT BOND-MODIFIED CARBON STRUCTURE, AND CARBON STRUCTURE/POLYMER COMPOSITE COMPRISING SAME POSCO (KR) 2016-11-10 US disclosed
EP-3088356-A1 NONCOVALENT BOND-MODIFIED CARBON STRUCTURE, AND CARBON STRUCTURE/POLYMER COMPOSITE COMPRISING SAME Posco (KR) 2016-11-02 EP disclosed
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NIH - DEITR 2015-04-09 US disclosed
WO-2013177492-A2 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF NORTHEASTERN UNIVERSITY (US) 2013-11-28 WO disclosed
US-7868135-B2 Compositions of lipopeptide antibiotic derivatives and methods of use thereof BIOWEST THERAPEUTICS INC. (CA) 2011-01-11 US disclosed
EP-2147925-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2010-01-27 EP disclosed
CN-1839150-A Lipopeptide antibacterial derivative composition and application method thereof MIGENIX INC (CA) 2006-09-27 CN disclosed
EP-1656390-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2006-05-17 EP disclosed
US-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof MIGENIX INC. (CA) 2005-07-14 US disclosed
WO-2005000878-A2 COMPOSITIONS OF LIPOPEPTIDE ANTIBIOTIC DERIVATIVES AND METHODS OF USE THEREOF MIGENIX INC. (CA) 2005-01-06 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-20050153876-A1 Compositions of lipopeptide antibiotic derivatives and methods of use thereof NRDC, NOD2, NGLY1 CYP1A2 4441/4885KMT2A 4429/4885MEN1 3085/4885
US-20150099800-A1 NOVEL LIPASE INHIBITORS, REPORTER SUBSTRATES AND USES THEREOF PNLIP, LIPE, LIPC CYP1A2 2750/4885KMT2A 3785/4885MEN1 4500/4885

“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.