SCHEMBL4601930

SCHEMBL4601930

CCCCCC(=O)N(C)CC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
EPHX2 P34913 2/20 0.50
AKR1B1 P15121 1/20 0.48
GPR84 Q9NQS5 7/20 0.46
PPARG P37231 6/20 0.46
PPARD Q03181 6/20 0.46
PPARA Q07869 6/20 0.46
HDAC11 Q96DB2 5/20 0.46
TSHR P16473 4/20 0.46
TLR2 O60603 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
FABP4 P15090 2/20 0.46
PTPN1 P18031 2/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
MEN1 O00255 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL2058928 0.98 ALDH1A1 (0.54) ALDH1A1CES2CES1EPHX2GPR84
SCHEMBL2058434 0.98 ALDH1A1 (0.54) ALDH1A1CES2CES1EPHX2GPR84
SCHEMBL17914173 0.98 ALDH1A1 (0.54) ALDH1A1CES2CES1EPHX2GPR84
SCHEMBL2058987 0.98 ALDH1A1 (0.54) ALDH1A1CES2CES1EPHX2GPR84
SCHEMBL2058893 0.98 ALDH1A1 (0.54) ALDH1A1CES2CES1EPHX2GPR84
SCHEMBL2058827 0.98 ALDH1A1 (0.54) ALDH1A1CES2CES1EPHX2GPR84
SCHEMBL28177818 0.98 ALDH1A1 (0.54) ALDH1A1CES2CES1EPHX2GPR84
Water SCHEMBL28491651 0.96 ALDH1A1 (0.52) ALDH1A1CES2CES1EPHX2GPR84
SCHEMBL8046344 0.93 ALDH1A1 (0.65) ALDH1A1CES2CES1EPHX2AKR1B1
SCHEMBL11782469 0.90 LMNA (0.50) ALDH1A1CES2CES1EPHX2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761637-B Non-rewet O/W (oil-in-water) emulsifying system for hydrophobic compounds 有机点击股份公司 2025-02-11 CN disclosed
WO-2024129788-A1 SMALL MOLECULE INHIBITORS OF THE LINE-1 ENDONUCLEASE DOMAIN BROWN UNIVERSITY (US) 2024-06-20 WO disclosed
US-20230052708-A1 NON-REWETTING O/W (OIL IN WATER) EMULSIFICATION SYSTEM FOR HYDROPHOBIC COMPOUNDS ORGANOCLICK AB (SE) 2023-02-16 US disclosed
EP-4073315-A1 NON-REWETTING O/W (OIL IN WATER) EMULSIFICATION SYSTEM FOR HYDROPHOBIC COMPOUNDS OrganoClick AB (SE) 2022-10-19 EP disclosed
CN-114761637-A Non-rewetting O/W (oil in water) emulsification systems for hydrophobic compounds 有机点击股份公司 2022-07-15 CN disclosed
WO-2021118451-A1 NON-REWETTING O/W (OIL IN WATER) EMULSIFICATION SYSTEM FOR HYDROPHOBIC COMPOUNDS ORGANOCLICK AB (SE) 2021-06-17 WO disclosed
US-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN GLOBAL BLOOD THERAPEUTICS, INC. 2017-06-22 US disclosed
EP-1694748-B1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES CO (US) 2008-04-23 EP disclosed
US-7273531-B2 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-25 US disclosed
EP-1694748-A1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M Innovative Properties Company (US) 2006-08-30 EP disclosed
US-6967196-B1 Sulfonamide compounds and uses thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-11-22 US disclosed
WO-2005047373-A1 METHOD OF MODIFYING A FLUOROPOLYMERIC SUBSTRATE AND COMPOSITE ARTICLES THEREBY 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-26 WO disclosed
US-20050092429-A1 Method of modifying a fluoropolymeric substrate and composite articles thereby 3M INNOVATIVE PROPERTIES COMPANY 2005-05-05 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 (1 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-20170174654-A1 COMPOUNDS AND USES THEREOF FOR THE MODULATION OF HEMOGLOBIN HBG2, HBG1, HBB ALDH1A1 1089/4885CES2 3611/4885CES1 2795/4885

“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.