SCHEMBL4649993

SCHEMBL4649993

CC(=O)CC(C(C)=O)(C(C)=O)C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
TRPA1 O75762 1/20 0.37
KDM4E B2RXH2 1/20 0.32
KDM6B O15054 1/20 0.32
KDM5C P41229 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
LMNA P02545 2/20 0.32
SLC15A2 Q16348 1/20 0.32
GAA P10253 2/20 0.31
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
MGAM O43451 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 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
SCHEMBL11743715 0.97 ALDH1A1 (0.37) ALDH1A1TDP1TRPA1KDM4EKDM6B
SCHEMBL6272633 0.97 ALDH1A1 (0.37) ALDH1A1TDP1TRPA1KDM4EKDM6B
SCHEMBL2855901 0.79 MGAM (0.39) ALDH1A1KDM4EKDM6BKDM5CEGLN1
SCHEMBL10571434 0.73 ALDH1A1 (0.39) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL16662440 0.72 ALDH1A1 (0.44) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL10001246 0.71 ALDH1A1 (0.37) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL13240553 0.71 HMGCR (0.41) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL9015652 0.71 ALDH1A1 (0.37) ALDH1A1TDP1TRPA1LMNASLC15A2
SCHEMBL1413211 0.69 LMNA (0.33) ALDH1A1TDP1KDM4ELMNASLC15A2
SCHEMBL6910126 0.69 ALDH1A1 (0.41) ALDH1A1TDP1TRPA1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5311199-A None JP disclosed
US-20260071299-A1 APPARATUS AND METHODS FOR RARE EARTH ELEMENT RECOVERY AND PURIFICATION BATTELLE MEMORIAL INSTITUTE (US) 2026-03-12 US disclosed
CN-109790489-B Low pH laundry detergent compositions 宝洁公司 2021-06-01 CN disclosed
EP-1558620-B1 RUTHENIUM ANTICANCER COMPLEXES UNIV EDINBURGH (GB) 2008-09-10 EP disclosed
US-7282573-B2 Process for making metal acetylacetonates COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2007-10-16 US disclosed
US-20060058270-A1 Ruthenium anticancer complexes UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (UK), THE (GB) 2006-03-16 US disclosed
WO-2005073341-A1 DUAL EMITTING DYADS OF HEAVY METAL COMPLEXES AS BROAD BAND EMITTERS FOR ORGANIC LEDS THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 2005-08-11 WO disclosed
EP-1558620-A1 RUTHENIUM ANTICANCER COMPLEXES THE UNIVERSITY COURT OF THE UNIVERSITY OF EDINBURGH (GB) 2005-08-03 EP disclosed
EP-1539168-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO(3,4-D)PYRIDAZINE COMPOUNDS Merck & Co., Inc. (US) 2005-06-15 EP disclosed
WO-2004056737-A1 PROCESS FOR THE PREPARATION OF METAL ACETYLACETONATES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-07-08 WO disclosed
WO-2004006836-A2 TREATMENT OF NEUROPATHIC PAIN WITH 6H-PYRROLO[3,4-D]PYRIDAZINE COMPOUNDS MERCK & CO., INC. (US) 2004-01-22 WO disclosed
WO-2004005304-A1 RUTHENIUM ANTICANCER COMPLEXES THE UNIVERSITY COURT, THE UNIVERSITY OF EDINBURGH (GB) 2004-01-15 WO disclosed
WO-2004002942-A1 METHOD OF PREPARING TETRAACETYLETHYLENEDIAMINE ZHEJIANG JINKE CHEMISTRY CO., LTD (CN) 2004-01-08 WO disclosed
EP-0630400-A1 LOW-DOSAGE AUTOMATIC DISHWASHING DETERGENT WITH MONOPERSULFATE AND ENZYMES THE PROCTER & GAMBLE COMPANY (US) 1994-12-28 EP disclosed
JP-H05311199-A BLEACHING AGENT COMPOSITION AND BLEACHING DETERGENT COMPOSITION LION CORP 1993-11-22 JP disclosed
WO-1993018129-A1 LOW-DOSAGE AUTOMATIC DISHWASHING DETERGENT WITH MONOPERSULFATE AND ENZYMES THE PROCTER & GAMBLE COMPANY (US) 1993-09-16 WO disclosed
EP-0412697-A2 N, N'-(1-oxo-1,2-ethanediyl)-bis (aspartic acid), salts and use in detergent compositions THE PROCTER & GAMBLE COMPANY (US) 1991-02-13 EP disclosed
US-4164518-A BETA DIKETO COMPLEXES OF PALLADIUM AS CATALYSTS TEIJIN LIMITED (JP) 1979-08-14 US disclosed
US-3983159-A Process for producing biphenylpolycarboxylic acid ester TEIJIN LIMITED (JA) 1976-09-28 US disclosed
US-3966818-A FROM 2,4,6-TRIMETHYLPHENOL AND OXYGEN TEIJIN LIMITED (JA) 1976-06-29 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 (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-20260071299-A1 APPARATUS AND METHODS FOR RARE EARTH ELEMENT RECOVERY AND PURIFICATION ERCC4, ERCC2, XPA ALDH1A1 3727/4885TDP1 1749/4885TRPA1 2087/4885
US-20060058270-A1 Ruthenium anticancer complexes TP53, RBBP5, TOP2B ALDH1A1 1401/4885TDP1 1905/4885TRPA1 4806/4885

“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.