SCHEMBL190924

SCHEMBL190924

CCCCCCCCCCN(CCCCCCCCCC)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
DNM1 Q05193 4/20 0.41
CES2 O00748 4/20 0.41
CES1 P23141 3/20 0.39
FAAH O00519 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.39
ZDHHC2 Q9UIJ5 1/20 0.39
TSHR P16473 5/20 0.38
PPARG P37231 5/20 0.38
PPARD Q03181 5/20 0.38
PPARA Q07869 5/20 0.38
HDAC11 Q96DB2 4/20 0.38
GPR84 Q9NQS5 3/20 0.38
TLR2 O60603 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
FABP4 P15090 2/20 0.38
PTPN1 P18031 2/20 0.38
SLC22A6 Q4U2R8 1/20 0.38
SLC22A8 Q8TCC7 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL11324311 1.00 ALDH1A1 (0.41) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL11317529 1.00 ALDH1A1 (0.41) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL11316939 1.00 ALDH1A1 (0.41) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL28535905 0.98 ALDH1A1 (0.43) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL28613156 0.96 ALDH1A1 (0.39) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL886851 0.91 ALDH1A1 (0.44) ALDH1A1DNM1CES2CES1FAAH
1-Heptanol SCHEMBL29163446 0.88 ALDH1A1 (0.48) ALDH1A1DNM1CES2CES1FAAH
1-Hexanol SCHEMBL29163470 0.88 ALDH1A1 (0.48) ALDH1A1DNM1CES2CES1FAAH
SCHEMBL29099293 0.85 KDM5A (0.40) ALDH1A1TSHRPPARGPPARDPPARA
SCHEMBL28356298 0.84 DNM1 (0.42) ALDH1A1DNM1CES2CES1ZDHHC20

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 1030 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220169680-A1 CELL-PENETRATING PEPTIDE BASED ON INFLUENZA VIRUS M2 PROTEIN INSTITUTE OF BASIC MEDICAL SCIENCES CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2022-06-02 US claimed
CN-114507303-A External electron donor for olefin polymerization, catalyst system and olefin polymerization method 中国石油化工股份有限公司 2022-05-17 CN claimed
CN-114478870-A Catalyst system for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2022-05-13 CN claimed
EP-3912989-A1 CELL-PENETRATING PEPTIDE BASED ON INFLUENZA VIRUS M2 PROTEIN Institute of Basic Medical Sciences Chinese Academy of Medical Sciences (CN) 2021-11-24 EP claimed
US-20130252945-A1 AMORPHOUS BIOINORGANIC IONIC LIQUID COMPOSITIONS COMPRISING PHARMACEUTICALS LOS ALAMOS NAT SECURITY LLC (US) 2013-09-26 US claimed
US-8268352-B2 Modified release composition for highly soluble drugs TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-18 US claimed
US-8263125-B2 Dosage form for high dose-high solubility active ingredients that provides for immediate release and modified release of the active ingredients TORRENT PHARMACEUTICALS LIMITED (IN) 2012-09-11 US claimed
US-20120093759-A1 Medical Devices, Wound Dressings, and Methods for Dressing Wounds VACHON DAVID J (US) 2012-04-19 US claimed
WO-2009059191-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EAR CANAL INFECTION AND INFLAMMATION EVERETT LABORATORIES, INC. (US) 2009-05-07 WO claimed
US-20090111780-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF EAR CANAL INFECTION AND INFLAMMATION EVERETT LABORATORIES, INC. 2009-04-30 US claimed
US-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA 2007-04-26 US claimed
WO-2007044693-A2 MULTI-FUNCTIONAL IONIC LIQUID COMPOSITIONS THE UNIVERSITY OF ALABAMA (US) 2007-04-19 WO claimed
CN-1826129-A Methods and compositions relating to isoleucine boroproline compounds POINT THERAPEUTICS INC (US) 2006-08-30 CN claimed
US-20060024365-A1 Novel dosage form VAYA NAVIN 2006-02-02 US claimed
US-20060018933-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
US-20060018934-A1 Novel drug delivery system TORRENT PHARMACEUTICALS LIMITED (IN) 2006-01-26 US claimed
EP-1578434-A2 METHODS AND COMPOSITIONS RELATING TO ISOLEUCINE BOROPROLINE COMPOUNDS Point Therapeutics, Inc. (US) 2005-09-28 EP claimed
US-20040131628-A1 Nucleic acids for the treatment of disorders associated with microorganisms BRATZLER ROBERT L (US) 2004-07-08 US claimed
US-20040077601-A1 Methods and compositions relating to isoleucine boroproline compounds POINT THERAPEUTICS, INC. 2004-04-22 US claimed
WO-2004004658-A2 METHODS AND COMPOSITIONS RELATING TO ISOLEUCINE BOROPROLINE COMPOUNDS POINT THERAPEUTICS, INC. (US) 2004-01-15 WO claimed

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-20070093462-A1 Multi-functional ionic liquid compositions for overcoming polymorphism and imparting improved properties for active pharmaceutical, biological, nutritional, and energetic ingredients SLC5A6, PNLIP, IPMK ALDH1A1 2937/4885DNM1 3889/4885CES2 2046/4885
US-20130252945-A1 AMORPHOUS BIOINORGANIC IONIC LIQUID COMPOSITIONS COMPRISING PHARMACEUTICALS MCOLN1, PYM1, MCOLN2 ALDH1A1 2641/4885DNM1 985/4885CES2 4288/4885
US-20040077601-A1 Methods and compositions relating to isoleucine boroproline compounds BCAT1, BCAT2, APOB ALDH1A1 2720/4885DNM1 2789/4885CES2 1872/4885

“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.