SCHEMBL1679015

SCHEMBL1679015

CCCCC(CCCC)NC(CCCC)CCCC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.43
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
CYP3A4 P08684 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G2C Q5R387 2/20 0.36
EPHX1 P07099 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
FDPS P14324 1/20 0.36
CA2 P00918 3/20 0.36
CA1 P00915 2/20 0.36
THRB P10828 1/20 0.35
OPRM1 P35372 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL1678737 0.94 DNM1 (0.46) DNM1TSHRALDH1A1CYP3A4LMNA
SCHEMBL1678596 0.94 DNM1 (0.39) DNM1TSHRALDH1A1CYP3A4TDP1
SCHEMBL11701212 0.88 TSHR (0.47) DNM1TSHRLMNAEPHX1FDPS
SCHEMBL20054095 0.88 TSHR (0.47) DNM1TSHRLMNAEPHX1FDPS
SCHEMBL8010945 0.88 TSHR (0.47) DNM1TSHRLMNAEPHX1FDPS
SCHEMBL11681882 0.88 TSHR (0.47) DNM1TSHRLMNAEPHX1FDPS
SCHEMBL13851797 0.88 TSHR (0.47) DNM1TSHRLMNAEPHX1FDPS
SCHEMBL12479364 0.88 TSHR (0.47) DNM1TSHRLMNAEPHX1FDPS
SCHEMBL5932299 0.88 ALDH1A1 (0.44) DNM1TSHRALDH1A1CYP3A4TDP1
SCHEMBL5692575 0.88 TSHR (0.47) DNM1TSHRLMNAEPHX1FDPS

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
EP-3043173-B1 A humidity sensor HONEYWELL INT INC (US) 2017-09-06 EP 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
EP-1806332-A1 BENZENE COMPOUND HAVING 2 OR MORE SUBSTITUENTS Daiichi Sankyo Company, Limited (JP) 2007-07-11 EP disclosed
EP-1470136-B1 METHOD FOR THE SEPARATION OF ACIDS FROM CHEMICAL REACTION MIXTURES BY MEANS OF IONIC FLUIDS BASF AG (DE) 2007-03-28 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 DNM1 4685/4885TSHR 594/4885ALDH1A1 4330/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 DNM1 4261/4885TSHR 47/4885ALDH1A1 3512/4885

“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.