SCHEMBL4886100

SCHEMBL4886100

CC(O)c1ccc(N(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.55
TSHR P16473 6/20 0.55
ALOX15 P16050 3/20 0.55
HSD17B10 Q99714 2/20 0.55
GAA P10253 4/20 0.52
ATM Q13315 1/20 0.52
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SLC2A1 P11166 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 2/20 0.44
HPGD P15428 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 4/20 0.44
MAPK1 P28482 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
TP53 P04637 1/20 0.44
HBB P68871 1/20 0.43
CYP1A2 P05177 1/20 0.42
PHLPP2 Q6ZVD8 1/20 0.42

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
SCHEMBL17160801 1.00 ALDH1A1 (0.55) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL13486844 0.93 MAPT (0.48) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL13486846 0.93 MAPT (0.48) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL142069 0.82 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL13917807 0.82 ALDH1A1 (0.58) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL12298937 0.81 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL6312542 0.81 ALDH1A1 (0.50) ALDH1A1TSHRALOX15HSD17B10GAA
SCHEMBL9331190 0.81 NOS3 (0.54) ALDH1A1TSHRALOX15HSD17B10MEN1
SCHEMBL9331652 0.81 NOS3 (0.54) ALDH1A1TSHRALOX15HSD17B10MEN1
SCHEMBL40655 0.81 NOS3 (0.54) ALDH1A1TSHRALOX15HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3254709-B1 TWO COMPONENT POLYMETHACRYLATE BONE CEMENT IN PASTE FORM HERAEUS MEDICAL GMBH (DE) 2020-02-26 EP claimed
US-20170348457-A1 PASTY TWO-COMPONENT POLYMETHACRYLATE BONE CEMENT HERAEUS MEDICAL GMBH (DE) 2017-12-07 US claimed
US-20080041520-A1 Adhesive and method for binding artificial plastic teeth DENTSPLY RESEARCH AND DEVELOPMENT CORP. (US) 2008-02-21 US claimed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US claimed
EP-4312945-A1 SELF-ADHESIVE DENTAL MATERIAL Kulzer GmbH (DE) 2024-02-07 EP disclosed
EP-4312947-A1 SELF-ADHESIVE FISSURE SEALANT Kulzer GmbH (DE) 2024-02-07 EP disclosed
WO-2022207877-A1 SELF-ADHESIVE DENTAL MATERIAL KULZER GMBH (DE) 2022-10-06 WO disclosed
US-11414436-B2 Non-coordinating anion type activators containing cation having large alkyl groups EXXONMOBIL CHEMICAL PATENTS INC. (US) 2022-08-16 US disclosed
WO-2022094420-A1 SELECTIVE TRANSITION METAL CATALYZED DEUTERIUM INCORPORATION INTO ALKYNE AND ALKENE FUNCTIONALITIES MARQUETTE UNIVERSITY (US) 2022-05-05 WO disclosed
CN-112055579-A One-component dental adhesive composition for fixing dental composite material 3M创新有限公司 2020-12-08 CN disclosed
EP-3254709-B1 TWO COMPONENT POLYMETHACRYLATE BONE CEMENT IN PASTE FORM HERAEUS MEDICAL GMBH (DE) 2020-02-26 EP disclosed
US-20190330139-A1 Non-Coordinating Anion Type Activators Containing Cation Having Large Alkyl Groups EXXONMOBIL CHEMICAL PATENTS INC. 2019-10-31 US disclosed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US disclosed
EP-0916637-A1 PROCESS FOR PREPARATING OPTICALLY ACTIVE COMPOUNDS Japan Science and Technology Corporation (JP) 1999-05-19 EP disclosed
EP-0881210-A1 Process for the production of N,N-dialkylaminophenyl alkanols Ciba SC Holding AG (CH) 1998-12-02 EP disclosed
US-5028638-A Hybrid plastic filling material BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
EP-0382033-A2 Hybrid synthetic resin filling materials BAYER AG (DE) 1990-08-16 EP disclosed
EP-0148401-B1 AMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR RADICALLY POLYMERISABLE COMPOSITIONS BAYER AG (DE) 1987-04-01 EP disclosed
US-4628112-A Amines, processes for their preparation and their use in compositions which can undergo free radical polymerization BAYER AKTIENGESELLSCHAFT (DE) 1986-12-09 US disclosed
EP-0148401-A1 Amines, process for their preparation and their use for radically polymerisable compositions BAYER AG (DE) 1985-07-17 EP 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-11414436-B2 Non-coordinating anion type activators containing cation having large alkyl groups KCNK10, KCNK4, HCN4 ALDH1A1 2589/4885TSHR 3730/4885ALOX15 907/4885
US-20190330139-A1 Non-Coordinating Anion Type Activators Containing Cation Having Large Alkyl Groups KCNK10, KCNK4, HCN4 ALDH1A1 2572/4885TSHR 3717/4885ALOX15 905/4885

“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.