SCHEMBL3417111

SCHEMBL3417111

COC1=CC(=O)C(=O)C=C1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.56
ERBB2 P04626 1/20 0.55
KDM4E B2RXH2 2/20 0.52
MEN1 O00255 2/20 0.52
TP53 P04637 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPT P10636 2/20 0.52
KMT2A Q03164 2/20 0.52
USP2 O75604 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTPN1 P18031 1/20 0.50
IDO1 P14902 1/20 0.50
CDC25A P30304 1/20 0.50
CDC25B P30305 1/20 0.50
ALOX5 P09917 11/20 0.42
PTGS2 P35354 1/20 0.42
TYR P14679 1/20 0.42
ALDH1A1 P00352 1/20 0.41
THRB P10828 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
SCHEMBL49737 0.87 ERBB2 (0.62) HKDC1ERBB2KDM4EMEN1TP53
SCHEMBL28856262 0.84 ERBB2 (0.59) HKDC1ERBB2KDM4EMEN1TP53
SCHEMBL11025815 0.83 MAPT (0.50) HKDC1ERBB2KDM4EMEN1TP53
SCHEMBL13180450 0.81 HKDC1 (0.46) HKDC1ERBB2KDM4EMEN1TP53
SCHEMBL9275509 0.81 HKDC1 (0.46) HKDC1ERBB2KDM4EMEN1TP53
SCHEMBL158561 0.77 HKDC1 (0.43) HKDC1ERBB2KDM4EMEN1TP53
Coprinin SCHEMBL3416504 0.75 ERBB2 (0.50) HKDC1ERBB2KDM4EMEN1TP53
SCHEMBL8958291 0.74 HKDC1 (0.41) HKDC1ERBB2KDM4EMEN1TP53
SCHEMBL23751954 0.73 ERBB2 (0.48) HKDC1ERBB2KDM4EMEN1TP53
SCHEMBL197917 0.73 HKDC1 (0.56) HKDC1ERBB2KDM4EMEN1TP53

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 94 patents — showing the first 20. 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
US-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative L'OREAL S.A. 2007-06-14 US 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
EP-1434552-A1 METHOD FOR DYEING KERATINOUS FIBRES Henkel Kommanditgesellschaft auf Aktien (DE) 2004-07-07 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
US-6635090-B1 Dyeing method using a specific cationic derivative and a compound selected among a specific aldehyde, a specific ketone, a quinone and a di-imino-isoindoline or 3-amino-isoindolone derivative L'OREAL, S.A. (FR) 2003-10-21 US claimed
US-5879411-A Composition and method for dyeing keratin fibers with o-benzoquinones and amino- or hydroxy-containing compounds WELLA AG (DE) 1999-03-09 US claimed
EP-0848942-A1 Composition and method for dyeing keratin fibres Wella Aktiengesellschaft (DE) 1998-06-24 EP claimed
EP-0460996-B1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative OREAL (FR) 1994-09-14 EP claimed
US-5180400-A METHOD FOR DYEING KERATINOUS FIBRES USING AN AMINOINDOLE IN COMBINATION WITH A QUINONE DERIVATIVE L'OREAL (FR) 1993-01-19 US claimed
EP-0255679-B1 COMPOSITION AND METHOD USING SUBSTITUTED ORTHO-QUINONES AS ELECTRON TRANSFER AGENTS IN ANALYTICAL DETERMINATIONS EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1993-01-13 EP claimed
US-5141855-A Forming cobalt complex of metallizable dye; analyte as reductant or producing reductant; spectrophotometric analysis of enzymes, blood, urine EASTMAN KODAK COMPANY (US) 1992-08-25 US claimed
EP-0460996-A1 Keratinic fibres dyeing process with an aminoindol associated with a quinone derivative L'OREAL (FR) 1991-12-11 EP claimed
EP-0376776-A2 Process for dyeing keratinous fibres with hydroxyindole associated with quinone and 1,4-benzoquinone L'OREAL (FR) 1990-07-04 EP claimed
US-4879243-A DETECTION OF CELLS IN URINE EASTMAN KODAK COMPANY (US) 1989-11-07 US claimed
EP-0255679-A2 Composition and method using substituted ortho-quinones as electron transfer agents in analytical determinations EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1988-02-10 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20070130702-A1 Dyeing process using a specific compound containing active methylene and a compound chosen from a specific aldehyde, a specific ketone, a quinone and a diiminoisoindoline or 3-aminoisoindolone derivative KRT18, NDUFB5, NDUFB7 HKDC1 159/4885ERBB2 3653/4885KDM4E 440/4885
US-20040060124-A1 Agent and method for coloring keratin fibers containing 2-benzothiazolinone-hydrazone and quinone derivatives KRT18, NDUFA1, NDUFA2 HKDC1 36/4885ERBB2 1732/4885KDM4E 2619/4885
US-20070000073-A1 Agent and method for colouring keratin fibres KRT18, CDC73, OAT HKDC1 28/4885ERBB2 2967/4885KDM4E 1848/4885

“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.