SCHEMBL6863960

SCHEMBL6863960

O=C(c1cccc(Cl)c1)C1C(=O)c2ccccc2C1=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.66
MAPT P10636 2/20 0.66
HBB P68871 2/20 0.66
ALOX15 P16050 1/20 0.66
RAB9A P51151 3/20 0.59
ALDH1A1 P00352 2/20 0.59
LMNA P02545 1/20 0.59
HPGD P15428 1/20 0.59
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PARP1 P09874 1/20 0.49
SLC25A5 P05141 1/20 0.45
KCNN4 O15554 1/20 0.45
KCNA3 P22001 1/20 0.45
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
MAOB P27338 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7145735 0.81 MAPT (0.72) HTTMAPTHBBALOX15RAB9A
SCHEMBL22802233 0.80 MAPT (0.61) HTTMAPTHBBALOX15RAB9A
SCHEMBL29603379 0.80 MAPT (0.61) HTTMAPTHBBALOX15RAB9A
SCHEMBL11451081 0.80 MAPT (1.00) HTTMAPTHBBALOX15RAB9A
SCHEMBL9421592 0.72 ALDH1A1 (0.45) HTTMAPTHBBALOX15RAB9A
SCHEMBL17398601 0.72 NPSR1 (0.66) RAB9AALDH1A1PARP1NPSR1L3MBTL1
SCHEMBL9711809 0.71 PARP1 (0.42) RAB9ALMNAPARP1NPSR1L3MBTL1
SCHEMBL6958511 0.70 MAPT (1.00) HTTMAPTHBBALOX15RAB9A
SCHEMBL4811658 0.70 MAPT (0.72) HTTMAPTHBBALOX15RAB9A
SCHEMBL8604882 0.70 MAPT (0.72) HTTMAPTHBBALOX15RAB9A

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 HTT 1452/4885MAPT 4261/4885HBB 4001/4885
US-20030232984-A1 Method for acylating cyclic compounds LCAT, ACOT7, AGPAT5 HTT 1452/4885MAPT 4261/4885HBB 4001/4885

“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.