SCHEMBL1678091

SCHEMBL1678091

CCC([O])CCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
ANPEP P15144 2/20 0.44
ERAP1 Q9NZ08 2/20 0.44
ERAP2 Q6P179 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
ACP3 P15309 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MCL1 Q07820 1/20 0.42
TP53 P04637 1/20 0.42
CTSC P53634 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
SCHEMBL1678739 0.88 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL1678557 0.86 MEN1 (0.46) MEN1KMT2ASMN1; SMN2
SCHEMBL1678751 0.84 TRPA1 (0.47) MEN1KMT2A
SCHEMBL28471076 0.78 FDFT1 (0.47) TDP1ANPEPERAP1ERAP2SMN1; SMN2
SCHEMBL6049647 0.77 TSHR (0.53) TSHRTDP1POLBANPEPERAP1
SCHEMBL8100431 0.77 TP53 (0.46) TSHRPOLBANPEPERAP1ALDH1A1
SCHEMBL9426583 0.77 TP53 (0.46) TSHRTDP1POLBANPEPERAP1
SCHEMBL206138 0.77 TRPA1 (0.50) POLBCYP1A2MEN1KMT2ATP53
SCHEMBL598729 0.76 TSHR (0.47) TSHRPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL1678858 0.75 TSHR (0.43) TSHRPOLBANPEPERAP1ERAP2

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 TSHR 594/4885TDP1 1908/4885POLB 2926/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 TSHR 47/4885TDP1 4214/4885POLB 3388/4885

“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.