SCHEMBL817422

SCHEMBL817422

CN(C)C(CO)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
CHRNB2 P17787 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRNA4 P43681 1/20 0.50
HTR2A P28223 2/20 0.46
HRH1 P35367 2/20 0.46
TRPA1 O75762 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
AOC3 Q16853 4/20 0.44
NR1H2 P55055 3/20 0.43
NR1H3 Q13133 3/20 0.43
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
LMNA P02545 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL1206432 1.00 KDM4E (0.52) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL1205734 1.00 KDM4E (0.52) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL4202700 0.83 KDM4E (0.44) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL12071516 0.83 CHRNB2 (0.56) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL28144244 0.83 CHRNB2 (0.56) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL6744004 0.83 AOC3 (0.55) KDM4EALDH1A1HTR2AHRH1TRPA1
SCHEMBL9995387 0.83 CHRNB2 (0.56) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL5398515 0.83 CHRNB2 (0.56) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL28144242 0.83 CHRNB2 (0.56) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3
SCHEMBL10007040 0.81 TRPA1 (0.43) KDM4EALDH1A1CHRNB2CHRNB4CHRNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005006991-A2 DEVICE AND METHOD FOR FALLOPIAN TUBE OCCLUSION CHIROXIA LIMITED (IE) 2005-01-27 WO claimed
WO-2003086327-A2 RADICAL POLYMERISATION ACTIVATOR FOR THE PRODUCTION OF COLOURED NON-TOXIC ORGANIC CEMENTS POLYMEREXPERT SA (FR) 2003-10-23 WO claimed
US-6353041-B1 PLASTICS FOR SEALING ROOTS OF TEETH KERR CORPORATION 2002-03-05 US claimed
US-5081164-A Organosilicon dental composite restorative materials LAI LABORATORIES, INC. (US) 1992-01-14 US claimed
US-11628125-B2 Photoinitiator modified polyacidic polymer DENTSPLY SIRONA INC. (US) 2023-04-18 US disclosed
EP-2450027-B1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND TRI-BARREL PACKAGING KERR CORP (US) 2023-01-11 EP disclosed
EP-3675800-B1 PHOTOINITIATOR MODIFIED POLYACIDIC POLYMER DENTSPLY DETREY GMBH (DE) 2021-09-22 EP disclosed
US-20210069070-A1 PHOTOINITIATOR MODIFIED POLYACIDIC POLYMER DENTSPLY SIRONA INC. (US) 2021-03-11 US disclosed
CN-106588957-B Monovalent copper compound based on nitrogen-containing heterocyclic thiol ligand and preparation method and application thereof 苏州大学 2019-04-05 CN disclosed
CN-109438152-A A kind of preparation method of method and carbonyls of the alcohol without receptor dehydrogenation reaction 苏州大学 2019-03-08 CN disclosed
EP-2497504-B1 PASTE-POWDER DUAL POLYMER-BASED BONE CEMENT AND INJECTION APPARATUS FOR SAME INJECTA INC (KR) 2019-01-09 EP disclosed
US-10016526-B2 Paste-powder dual polymer-based bone cement and injection apparatus for same INJECTA INC. (KR) 2018-07-10 US disclosed
EP-0187039-B1 ANTIESTROGENIC HYDRAZONES Morgan, Lee Roy (US) 1990-05-16 EP disclosed
EP-0208172-B1 CEMENT FOR THE FIXATION OF BONE PROSTHESES CERAVER Société anonyme dite: (FR) 1990-02-28 EP disclosed
US-4880660-A Method for priming hard tissue MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-11-14 US disclosed
EP-0305083-A2 Method for priming hard tissue MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-03-01 EP disclosed
CN-87100261-A Method for sclerous tissues's bottoming 1988-03-23 CN disclosed
US-4732904-A ANTITUMOR AGENTS MORGAN LEE R (US) 1988-03-22 US disclosed
EP-0234934-A2 Method for priming hard tissue MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1987-09-02 EP disclosed
EP-0187039-A1 Antiestrogenic hydrazones Morgan, Lee Roy (US) 1986-07-09 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-20210069070-A1 PHOTOINITIATOR MODIFIED POLYACIDIC POLYMER DOHH, OGDH, GGH KDM4E 2773/4885ALDH1A1 1918/4885CHRNB2 2804/4885
US-11628125-B2 Photoinitiator modified polyacidic polymer DOHH, OGDH, GGH KDM4E 2773/4885ALDH1A1 1918/4885CHRNB2 2804/4885

“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.