SCHEMBL1678095

SCHEMBL1678095

CCC(C)([O])CCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
RIPK1 Q13546 3/20 0.41
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TAAR1 Q96RJ0 3/20 0.39
SLC6A2 P23975 2/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ATM Q13315 1/20 0.39
KEAP1 Q14145 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
SCHEMBL1678141 0.88 MEN1 (0.46) POLBMAPTMEN1KMT2ASLC6A2
SCHEMBL1678864 0.81 TP53 (0.42) TP53ALDH1A1RIPK1MEN1KMT2A
SCHEMBL1678534 0.80 ALDH1A1 (0.45) ALDH1A1POLBNPC1MAPTRAB9A
SCHEMBL11066485 0.78 TP53 (0.44) TP53ALDH1A1RIPK1MAPTMEN1
SCHEMBL7212578 0.76 CYP2D6 (0.45) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL9466924 0.75 TAAR1 (0.48) TP53ALDH1A1HPGDALOX15ALOX12
SCHEMBL28042752 0.75 TP53 (0.41) TP53ALDH1A1RIPK1HPGDALOX15
SCHEMBL114480 0.75 TDP1 (0.43) TP53ALDH1A1RIPK1POLBNPC1
SCHEMBL315316 0.75 ALDH1A1 (0.48) TP53ALDH1A1RIPK1HPGDALOX15
SCHEMBL1026188 0.75 ALDH1A1 (0.46) ALDH1A1RIPK1POLBNPC1MAPT

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 4330/4885RIPK1 1162/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 TP53 3108/4885ALDH1A1 3512/4885RIPK1 3821/4885

“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.