SCHEMBL1678596

SCHEMBL1678596

CCCCC(CCC)NC(CCC)CCCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.35
PLA2G2C Q5R387 2/20 0.34
CA2 P00918 4/20 0.33
CA1 P00915 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
EPHX1 P07099 1/20 0.33
LMNA P02545 1/20 0.33
FDPS P14324 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 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
SCHEMBL1679015 0.94 DNM1 (0.43) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL24704607 0.92 DNM1 (0.46) DNM1TSHRPLA2G2CCA2EPHX1
SCHEMBL22646175 0.92 DNM1 (0.46) DNM1TSHRPLA2G2CCA2EPHX1
SCHEMBL9818090 0.89 LMNA (0.42) DNM1TSHREPHX1LMNAFDPS
SCHEMBL277799 0.89 LMNA (0.42) DNM1TSHREPHX1LMNAFDPS
SCHEMBL1678737 0.88 DNM1 (0.46) DNM1ALDH1A1TSHRCYP3A4PLA2G2C
SCHEMBL5932128 0.87 TAS1R3 (0.34) TSHRCYP3A4TDP1FDPSSIGMAR1
SCHEMBL22863416 0.87 DNM1 (0.35) DNM1ALDH1A1TSHRCYP3A4TDP1
SCHEMBL13851797 0.82 TSHR (0.47) DNM1TSHREPHX1LMNAFDPS
SCHEMBL5932299 0.82 ALDH1A1 (0.44) DNM1ALDH1A1TSHRCYP3A4TDP1

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 10 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-1522570-A2 Fuel oiliness addtive Total France (FR) 2005-04-13 EP disclosed
EP-0961820-B1 ADDITIVE FOR FUEL OILINESS TOTAL FRANCE (FR) 2005-03-02 EP disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP disclosed
WO-1983002622-A1 APPLICATION OF POLYFLUORINATED CHAIN AMINES AS ADDITIVES FOR LUBRICANTS THERMET, ROBERT 1983-08-04 WO 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 4330/4885TSHR 594/4885
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 2071/4885TSHR 1237/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 DNM1 4261/4885ALDH1A1 3512/4885TSHR 47/4885

“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.