SCHEMBL4138857

SCHEMBL4138857

CCCC(=O)N(C)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
HDAC3 O15379 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC2 Q92769 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
FFAR3 O14843 3/20 0.38
TSHR P16473 1/20 0.36
TP53 P04637 1/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA4 P43681 1/20 0.34
GAA P10253 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
CTSD P07339 1/20 0.32
LMNA P02545 1/20 0.32
CNR1 P21554 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
Hydrochloric Acid SCHEMBL27323795 0.98 ALDH1A1 (0.39) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL13034569 0.86 ALDH1A1 (0.60) ALDH1A1CES2CES1TP53CHRNB2
SCHEMBL3019869 0.83 ALDH1A1 (0.39) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL24340744 0.82 ALDH1A1 (0.50) ALDH1A1CES2CES1TSHRLMNA
SCHEMBL26359527 0.82 ALDH1A1 (0.50) ALDH1A1CES2CES1TSHRLMNA
SCHEMBL14600035 0.82 CHRNB2 (0.45) ALDH1A1CHRNB2CHRNB4CHRNA4GAA
SCHEMBL25143929 0.80 CHRNB2 (0.34) ALDH1A1CHRNB2CHRNB4CHRNA4GAA
SCHEMBL25874859 0.79 ALDH1A1 (0.37) ALDH1A1CES2CES1HDAC3HDAC1
SCHEMBL740201 0.79
SCHEMBL16467157 0.79 HSD17B10 (0.38) ALDH1A1CHRNB2CHRNB4CHRNA4CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof ZIKANI THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11673910-B2 Macrolides with modified desosamine sugars and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2023-06-13 US disclosed
US-11597873-B2 Well treatment compositions and methods comprising certain microemulsions and certain clay control additives exhibiting synergistic effect of enhancing clay swelling protection and persistency FLOTEK CHEMISTRY, LLC (US) 2023-03-07 US disclosed
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2022-12-29 US disclosed
US-20220356185-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-11-10 US disclosed
US-11254856-B2 Methods and compositions for use in oil and/or gas wells FLOTEK CHEMISTRY, LLC (US) 2022-02-22 US disclosed
US-20210371730-A1 WELL TREATMENT COMPOSITIONS AND METHODS COMPRISING CERTAIN MICROEMULSIONS AND CERTAIN CLAY CONTROL ADDITIVES EXHIBITING SYNERGISTIC EFFECT OF ENHANCING CLAY SWELLING PROTECTION AND PERSISTENCY FLOTEK CHEMISTRY, LLC (US) 2021-12-02 US disclosed
US-11180690-B2 Diluted microemulsions with low surface tensions FLOTEK CHEMISTRY, LLC (US) 2021-11-23 US disclosed
US-20210340435-A1 METHODS AND COMPOSITIONS FOR STIMULATING THE PRODUCTION OF HYDROCARBONS FROM SUBTERRANEAN FORMATIONS FLOTEK CHEMISTRY, LLC (US) 2021-11-04 US disclosed
US-11053433-B2 Methods and compositions for stimulating the production of hydrocarbons from subterranean formations FLOTEK CHEMISTRY, LLC (US) 2021-07-06 US disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 US disclosed
US-20080015179-A1 Modulators of muscarinic receptors VERTEX PHARMACEUTICALS INCORPORATED 2008-01-17 US disclosed
WO-2007112505-A1 GLYCERIDE ESTER DERIVATIVES OF HERBICIDAL COMPOUNDS AND COMPOSITIONS THEREOF NUFARM AUSTRALIA LIMITED (AU) 2007-10-11 WO disclosed
US-20050064004-A1 Surfactant/solvent mixtures BAYER CROPSCIENCE GMBH (DE) 2005-03-24 US disclosed
CN-1170827-C Benzofurylpyrone derivatives ������������ʽ���� 2004-10-13 CN disclosed
CN-1299359-A Benzofurylpyrone derivatives TEIJIN LTD (JP) 2001-06-13 CN disclosed
CN-1064045-C Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-04-04 CN disclosed
CN-1173868-A Thienopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-02-18 CN disclosed
CN-1027271-C Preparation method of n-statinib and n-cyclostatini polypeptide PFICER CO LTD (US) 1995-01-04 CN disclosed
CN-87101499-A Preparation method of n-statinib and n-cyclostatini polypeptide 1988-05-11 CN 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 (7 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-11673910-B2 Macrolides with modified desosamine sugars and uses thereof FUT6, DDOST, MGAM ALDH1A1 4673/4885CES2 1374/4885CES1 1142/4885
US-20220411366-A1 INHIBITORS OF ALPHA 2 BETA 1 INTEGRIN AND METHODS OF USE THEREOF ITGB1, ITGB2, ITGA2 ALDH1A1 399/4885CES2 1324/4885CES1 991/4885
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases PI4KA, IP6K3, PHOSPHO1 ALDH1A1 4022/4885CES2 3563/4885CES1 765/4885
US-20080015179-A1 Modulators of muscarinic receptors CHRM3, CHRM5, CHRM2 ALDH1A1 2356/4885CES2 978/4885CES1 917/4885
US-20230242565-A1 Macrolides with Modified Desosamine Sugars and Uses Thereof FUT6, DDOST, MGAM ALDH1A1 4673/4885CES2 1374/4885CES1 1142/4885
US-20220356185-A1 MERTK DEGRADERS AND USES THEREOF MERTK, ITK, CRKL ALDH1A1 1538/4885CES2 885/4885CES1 1208/4885
US-20050064004-A1 Surfactant/solvent mixtures C1R, C1S, HRH4 ALDH1A1 3920/4885CES2 1195/4885CES1 640/4885

“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.