SCHEMBL1678595

SCHEMBL1678595

CCCCC(CCC)[N]C(CCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.39
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 5/20 0.34
TSHR P16473 4/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP3A4 P08684 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
THRB P10828 1/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL1679013 0.94 DNM1 (0.43) DNM1ALDH1A1TDP1CA2TSHR
SCHEMBL277798 0.89 LMNA (0.42) DNM1CA2TSHRLMNAFDPS
SCHEMBL1678736 0.88 DNM1 (0.46) DNM1CA2TSHRLMNAFDPS
SCHEMBL5932122 0.87 TSHR (0.35) TDP1TSHRCYP3A4FDPS
SCHEMBL5932293 0.82 ALDH1A1 (0.40) DNM1ALDH1A1TDP1CA2TSHR
SCHEMBL1679050 0.78 ALDH1A1 (0.37) DNM1ALDH1A1TDP1CA2TSHR
SCHEMBL17225874 0.78 CA2 (0.37) DNM1ALDH1A1TDP1CA2TSHR
SCHEMBL16315511 0.78 CA2 (0.37) DNM1ALDH1A1TDP1CA2TSHR
SCHEMBL277288 0.75 TSHR (0.32) TSHRCYP3A4LMNA
SCHEMBL278027 0.74 OPRM1 (0.42) DNM1CA2TSHRLMNAFDPS

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
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
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 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 (3 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 DNM1 4685/4885ALDH1A1 4330/4885TDP1 1908/4885
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR DNM1 2072/4885ALDH1A1 2071/4885TDP1 316/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 DNM1 4261/4885ALDH1A1 3512/4885TDP1 4214/4885

“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.