SCHEMBL1678864

SCHEMBL1678864

CCC([O])(CC)CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
ALOX12 P18054 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TAAR1 Q96RJ0 3/20 0.40
ATM Q13315 1/20 0.40
KEAP1 Q14145 1/20 0.40
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
AOC3 Q16853 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
MGLL Q99685 1/20 0.39
CHRM2 P08172 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CHRM1 P11229 1/20 0.39

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
SCHEMBL1678550 0.88 ADRA1A (0.46) ADRA1ASLC6A3GSK3AGSK3BMGLL
SCHEMBL1678095 0.81 TP53 (0.41) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL1679209 0.79 ADRA1A (0.42) ADRA1ASLC6A3GSK3AGSK3BCHRM2
SCHEMBL1678534 0.77 ALDH1A1 (0.45) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL11066485 0.76 TP53 (0.44) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL10766520 0.74 TAAR1 (0.45) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL17805414 0.74 TDP1 (0.44) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL21058275 0.74 TAAR1 (0.45) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL18085386 0.74 ALDH1A1 (0.47) ALDH1A1KEAP1ADRA1ASLC6A3TDP1
SCHEMBL1678141 0.74 MEN1 (0.46) ADRA1ASLC6A3CHRM2HTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101094827-B Benzene compound having two or more substituents DAIICHI SANKYO CO LTD 2012-06-13 CN disclosed
US-7923573-B2 Benzene compound having 2 or more substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-12 US disclosed
US-20080255111-A1 Tissue Factor Production Inhibitor SANKYO COMPANY LIMITED (JP) 2008-10-16 US disclosed
US-20080004301-A1 Benzene Compound Having 2 or More Substituents DAIICHI SANKYO COMPANY, LIMITED (JP) 2008-01-03 US disclosed
CN-101094827-A Benzene compound having two or more substituents SANKYO CO (JP) 2007-12-26 CN disclosed
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1764075-A1 TISSUE FACTOR PRODUCTION INHIBITOR Sankyo Company, Limited (JP) 2007-03-21 EP 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-20080255111-A1 Tissue Factor Production Inhibitor PTAFR, PLAT, TFPI TP53 2201/4885ALDH1A1 4330/4885HPGD 1440/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 TP53 3108/4885ALDH1A1 3512/4885HPGD 3933/4885

“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.