SCHEMBL6690331

SCHEMBL6690331

CC(C)(C)ON1C(=O)C=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
BLM P54132 2/20 0.35
GMNN O75496 1/20 0.35
LMNA P02545 1/20 0.35
THPO P40225 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MCL1 Q07820 1/20 0.31
ATM Q13315 1/20 0.31
FAAH O00519 1/20 0.31
CYP1A2 P05177 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
WRN Q14191 1/20 0.30
HIF1A Q16665 1/20 0.30
HSP90AA1 P07900 1/20 0.30

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
SCHEMBL7604431 0.74 MGLL (0.33) MGLLGSK3AGSK3BFAAH
SCHEMBL819470 0.69
SCHEMBL905713 0.69 ELANE (0.38) MGLLGSK3AGSK3BALDH1A1MAPT
SCHEMBL18650107 0.69 MGLL (0.36) MGLLGSK3AGSK3BALDH1A1MAPT
SCHEMBL1709061 0.68 PARL (0.33)
SCHEMBL7139394 0.67 MGLL (0.42) MGLLGSK3AGSK3BALDH1A1MAPT
SCHEMBL10666060 0.67 MGLL (0.42) MGLLGSK3AGSK3BALDH1A1MAPT
SCHEMBL7850554 0.67 GAA (0.47) ALDH1A1MAPTLMNANPSR1CYP1A2
SCHEMBL20931037 0.65 BRD4 (0.36)
SCHEMBL2111704 0.65 MGLL (0.35) MGLLGSK3AGSK3BALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11746086-B2 Non-aggregating heptamethine cyanine fluorophores for in vivo imaging THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-05 US disclosed
US-11746086-B2 Non-aggregating heptamethine cyanine fluorophores for in vivo imaging THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-05 US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-9771321-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2017-09-26 US disclosed
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2017-07-06 US disclosed
US-20140336254-A1 Small Molecules That Covalently Modify Transthyretin KELLY JEFFERY W (US) 2014-11-13 US disclosed
US-8865390-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-8865390-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-21 US disclosed
US-8703815-B2 Small molecules that covalently modify transthyretin THE SCRIPPS RESEARCH INSTITUTE (US) 2014-04-22 US disclosed
US-20130071788-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-20130071788-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-03-21 US disclosed
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-10-25 US disclosed
US-6737217-B2 SUCH AS POLY(MALEIC ANHYDRIDE/HEXAFLUOROBUTYL-5-NORBORNENE-2-CARBOXYLATE/2,6-DIFLUORO-1 -METHYLBENZYLACRYLATE) ; FOR PRODUCTION OF SEMICONDUCTORS/INTEGRATED CIRCUITS; PHOTOLITHOGRAPHY HYNIX SEMICONDUCTOR INC. (KR) 2004-05-18 US disclosed
US-6653047-B2 Monomers such as 2,6-difluoro-1-methylbenzyl 5-norbornene-2-carboxylate; etching resistance, heat resistance and adhesiveness, and can be developed in aqueous tetramethylammonium hydroxide; semiconductors HYNIX SEMICONDUCTOR INC (KR) 2003-11-25 US disclosed
US-20030022103-A1 Photoresist monomers containing fluorine-substituted benzylcarboxylate and photoresist polymers comprising the same HYNIX SEMICONDUCTOR INC. (KR) 2003-01-30 US disclosed
US-20030017412-A1 Photoresist monomers containing fluorine-substituted benzylcarboxylate and photoresist polymers comprising the same HYNIX SEMICONDUCTOR INC. (KR) 2003-01-23 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 (4 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-20140336254-A1 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB MGLL 2481/4885GSK3A 3975/4885GSK3B 3892/4885
US-20170190660-A9 Small Molecules That Covalently Modify Transthyretin TTR, TTPA, APOB MGLL 2481/4885GSK3A 3975/4885GSK3B 3892/4885
US-11746086-B2 Non-aggregating heptamethine cyanine fluorophores for in vivo imaging CNDP2, MSN, CHAT MGLL 4036/4885GSK3A 4423/4885GSK3B 4409/4885
US-20120270938-A1 SMALL MOLECULES THAT COVALENTLY MODIFY TRANSTHYRETIN TTR, TTPA, APOB MGLL 2481/4885GSK3A 3975/4885GSK3B 3892/4885

“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.