SCHEMBL5164345

SCHEMBL5164345

COC1=C(c2ccccc2)C(=O)C(=O)C(c2ccccc2)=C1OC

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.83
MAPT P10636 6/20 0.70
ALDH1A1 P00352 4/20 0.70
MITF O75030 2/20 0.70
HTT P42858 1/20 0.70
NPSR1 Q6W5P4 1/20 0.70
CDC25A P30304 3/20 0.50
CDC25B P30305 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
TP53 P04637 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
POLB P06746 2/20 0.50
HPGD P15428 2/20 0.50
MAP2K7 O14733 1/20 0.50
GMNN O75496 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50

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
SCHEMBL9628178 0.83 MAPT (1.00) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL29664101 0.82 ME2 (0.62) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL27786764 0.79 PDE4B (0.70) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL17432770 0.77 PDE4B (0.72) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL9275486 0.76 PDE4B (0.61) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL25240605 0.74 ALDH1A1 (0.65) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL17432839 0.74 PDE4B (0.69) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL9723700 0.74 BACE1 (0.62) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL13141855 0.74 BACE1 (0.62) PDE4BMAPTALDH1A1MITFHTT
SCHEMBL211025 0.74 PDE4B (0.59) PDE4BMAPTALDH1A1MITFHTT

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
CN-114805398-A Preparation method of ecteinascidin compound 江苏恒瑞医药股份有限公司 2022-07-29 CN claimed
EP-1754514-A1 Agent and method for colouring keratin fibres Wella Aktiengesellschaft (DE) 2007-02-21 EP claimed
US-20070000073-A1 Agent and method for colouring keratin fibres PROCTER & GAMBLE COMPANY, THE 2007-01-04 US claimed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO claimed
US-7070625-B2 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives WELLA AG (DE) 2006-07-04 US claimed
EP-1448540-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES Wella Aktiengesellschaft (DE) 2004-08-25 EP claimed
US-20040060124-A1 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-04-01 US claimed
WO-2003042199-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-05-22 WO claimed
CN-114805398-A Preparation method of ecteinascidin compound 江苏恒瑞医药股份有限公司 2022-07-29 CN disclosed
EP-1754514-A1 Agent and method for colouring keratin fibres Wella Aktiengesellschaft (DE) 2007-02-21 EP disclosed
US-20070000073-A1 Agent and method for colouring keratin fibres PROCTER & GAMBLE COMPANY, THE 2007-01-04 US disclosed
WO-2006094217-A2 AGENT AND METHOD FOR COLOURING KERATIN FIBRES THE PROCTER & GAMBLE COMPANY (US) 2006-09-08 WO disclosed
US-7070625-B2 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives WELLA AG (DE) 2006-07-04 US disclosed
EP-1448540-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES Wella Aktiengesellschaft (DE) 2004-08-25 EP disclosed
US-20040060124-A1 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2004-04-01 US disclosed
WO-2003042199-A1 AGENT AND METHOD FOR COLORING KERATIN FIBERS CONTAINING 2-BENZOTHIAZOLINONE-HYDRAZONE AND QUINONE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 2003-05-22 WO 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-20040060124-A1 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives KRT18, NDUFA1, NDUFA2 PDE4B 3987/4885MAPT 1723/4885ALDH1A1 33/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT PDE4B 4198/4885MAPT 1013/4885ALDH1A1 494/4885

“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.