SCHEMBL1680185

SCHEMBL1680185

CCCCCN(C)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1C P00326 1/20 0.50
ADH1A P07327 1/20 0.50
ADH4 P08319 1/20 0.50
DNM1 Q05193 3/20 0.46
KDM4E B2RXH2 1/20 0.37
SPHK1 Q9NYA1 1/20 0.36
LSS P48449 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
GBA1 P04062 1/20 0.34
TSHR P16473 1/20 0.33
GRIN2B Q13224 1/20 0.33
THRB P10828 1/20 0.33
S1PR2 O95136 1/20 0.32
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
S1PR5 Q9H228 1/20 0.32
EPHX1 P07099 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32

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
SCHEMBL23767402 1.00 ADH1C (0.50) ADH1CADH1AADH4DNM1KDM4E
SCHEMBL11569526 0.98 ADH1C (0.53) ADH1CADH1AADH4DNM1KDM4E
SCHEMBL1678954 0.98 ADH1C (0.53) ADH1CADH1AADH4DNM1KDM4E
SCHEMBL11570725 0.98 ADH1C (0.53) ADH1CADH1AADH4DNM1KDM4E
SCHEMBL24437737 0.93 DNM1 (0.44) ADH1CADH1AADH4DNM1KDM4E
SCHEMBL1678797 0.92
SCHEMBL17351084 0.91 DNM1 (0.48) ADH1CADH1AADH4DNM1GBA1
SCHEMBL14546899 0.91 ADH1A (0.42) ADH1CADH1AADH4DNM1SMN1; SMN2
Hydrochloric Acid SCHEMBL7433084 0.90 ADH1C (0.41) ADH1CADH1AADH4DNM1KDM4E
SCHEMBL23221024 0.89 ADH1C (0.43) ADH1CADH1AADH4DNM1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 ADH1C 4567/4885ADH1A 4118/4885ADH4 3270/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 ADH1C 3082/4885ADH1A 2316/4885ADH4 1194/4885

“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.