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.

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