SCHEMBL6864853

SCHEMBL6864853

CC(=O)C1C(=O)CCC(C)(C)C1=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 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
SCHEMBL12475140 0.83 KDM4E (0.32) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL1743259 0.71 TLR4 (0.32) ALDH1A1KDM4EPOLBMAPTTSHR
SCHEMBL8054703 0.71 CA1 (0.30)
SCHEMBL1177456 0.70
SCHEMBL23369354 0.68 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL8161986 0.68 MAPT (0.45) MAPT
SCHEMBL1573211 0.68 APLNR (0.30)
SCHEMBL7350816 0.68 SLC6A3 (0.44) ALDH1A1TDP1KDM4EPOLBMAPT
SCHEMBL9219255 0.67 CA1 (0.44) ALDH1A1KDM4EMAPTHTT
SCHEMBL170644 0.67 CA1 (0.39) ALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6809206-B2 CONTACTING A PHENYL ESTER COMPOUND WITH A CYCLIC COMPOUND IN THE PRESENCE OF A SOURCE OF CYANIDE OR FLUORIDE TO PREPARE ACYLATED CYCLIC 1,3-DICARBONYL COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY 2004-10-26 US disclosed
US-20030232984-A1 Method for acylating cyclic compounds E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-18 US disclosed
US-20020049317-A1 Method for acylating cyclic compounds E.I. DU PONT DE NEMOURS AND COMPANY 2002-04-25 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-20020049317-A1 Method for acylating cyclic compounds LCAT, ACOT7, AGPAT5 ALDH1A1 3181/4885TDP1 2450/4885KDM4E 1590/4885
US-20030232984-A1 Method for acylating cyclic compounds LCAT, ACOT7, AGPAT5 ALDH1A1 3181/4885TDP1 2450/4885KDM4E 1590/4885

“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.