SCHEMBL29518

SCHEMBL29518

C=CCC(=O)C(=O)CCCCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 5/20 0.65
CES1 P23141 5/20 0.65
TSHR P16473 4/20 0.48
FAAH O00519 3/20 0.48
AKR1B1 P15121 1/20 0.44
PPARG P37231 5/20 0.43
PPARD Q03181 5/20 0.43
PPARA Q07869 5/20 0.43
HDAC11 Q96DB2 4/20 0.43
GPR84 Q9NQS5 3/20 0.43
ALDH1A1 P00352 2/20 0.43
TLR2 O60603 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
FABP4 P15090 2/20 0.43
PTPN1 P18031 2/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
ALOX15 P16050 1/20 0.43

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
SCHEMBL10785837 0.83 CES2 (0.54) CES2CES1TSHRFAAHAKR1B1
SCHEMBL3632219 0.81 CES2 (0.67) CES2CES1TSHRFAAHALDH1A1
SCHEMBL3293052 0.81 CES1 (1.00) CES2CES1TSHRAKR1B1PPARG
SCHEMBL176299 0.80 TSHR (0.50) CES2CES1TSHRFAAHAKR1B1
SCHEMBL3131865 0.78 KMT2A (0.54) CES2CES1TSHRFAAHPPARG
SCHEMBL9539734 0.78 TSHR (0.48) CES2CES1TSHRFAAHAKR1B1
SCHEMBL8668069 0.78 KMT2A (0.54) CES2CES1TSHRFAAHAKR1B1
Hydrogen Sulfide SCHEMBL9539728 0.78 TSHR (0.48) CES2CES1TSHRFAAHAKR1B1
SCHEMBL3632919 0.78 KMT2A (0.54) CES2CES1TSHRFAAHPPARG
SCHEMBL11796286 0.78 KMT2A (0.54) CES2CES1TSHRFAAHPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471802-A1 Phosphoramidates of monosaccharides Bioiberica, S.A. (ES) 2012-07-04 EP claimed
US-6204302-B1 INCLUDES (A) 1-ARYL-2-ALKYL-1,2-ETHANEDIONE AND (B) A RIGID 1,2-DIONE BISCO, INC. 2001-03-20 US claimed
EP-4056144-B1 DENTAL ARTICLES, METHODS, AND KITS INCLUDING A COMPRESSIBLE MATERIAL SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-07-10 EP disclosed
US-12023392-B2 Additive manufacturing process DENTSPLY SIRONA INC. (US) 2024-07-02 US disclosed
US-20240180791-A1 DENTAL COMPOSITION DENTSPLY SIRONA INC. (US) 2024-06-06 US disclosed
EP-3265049-B1 COMPOSITE MATERIAL HAVING CERAMIC FIBERS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY (US) 2024-05-01 EP disclosed
CN-112673035-B Composite material comprising ceramic fibers and nanoclusters, dental product, kit and method of making and using the same 舒万诺知识产权公司 2024-04-19 CN disclosed
US-11931432-B2 Dental composition DENTSPLY SIRONA INC. (US) 2024-03-19 US disclosed
US-11925697-B2 Dental impression material DENTSPLY SIRONA INC. (US) 2024-03-12 US disclosed
US-11918664-B2 Direct dental filling compositions DENTSPLY SIRONA INC. (US) 2024-03-05 US disclosed
CN-113164328-B Difunctional and multifunctional coinitiators in dental compositions 登士柏德特里有限公司 2024-02-27 CN disclosed
US-20050176844-A1 Self-etching emulsion dental compositions and methods 3M DEUTSCHLAND GMBH (DE) 2005-08-11 US disclosed
US-20050175966-A1 Self-adhesive dental compositions and methods 3M DEUTSCHLAND GMBH (DE) 2005-08-11 US disclosed
WO-2005034884-A1 DENTAL COMPOSITIONS AND METHODS WITH ARYLSULFINATE SALTS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-21 WO disclosed
US-20050070627-A1 Dental compositions and methods with arylsulfinate salts 3M INNOVATIVE PROPERTIES COMPANY 2005-03-31 US disclosed
WO-2005018581-A2 SELF-ETCHING DENTAL COMPOSITIONS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-03-03 WO disclosed
US-20040206932-A1 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-10-21 US disclosed
WO-2004060327-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed
US-6204302-B1 INCLUDES (A) 1-ARYL-2-ALKYL-1,2-ETHANEDIONE AND (B) A RIGID 1,2-DIONE BISCO, INC. 2001-03-20 US disclosed
US-6204302-B1 INCLUDES (A) 1-ARYL-2-ALKYL-1,2-ETHANEDIONE AND (B) A RIGID 1,2-DIONE BISCO, INC. 2001-03-20 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 (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-20240180791-A1 DENTAL COMPOSITION CAD, MTR, ESD CES2 1547/4885CES1 4418/4885TSHR 4609/4885
US-11925697-B2 Dental impression material FHIT, PASK, TAS2R40 CES2 944/4885CES1 3452/4885TSHR 2654/4885
US-11931432-B2 Dental composition CAD, MTR, ESD CES2 1547/4885CES1 4418/4885TSHR 4609/4885
US-12023392-B2 Additive manufacturing process FLNA, FLNB, SAMM50 CES2 4432/4885CES1 4588/4885TSHR 4003/4885
US-11918664-B2 Direct dental filling compositions CAD, DOCK5, ITGA5 CES2 3932/4885CES1 4480/4885TSHR 4680/4885

“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.