SCHEMBL1678346

SCHEMBL1678346

CCCCC([NH])CCCC

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.45
TSHR P16473 5/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CYP3A4 P08684 1/20 0.38
THRB P10828 1/20 0.38
FDPS P14324 1/20 0.38
OPRM1 P35372 1/20 0.36
CA2 P00918 3/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 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
SCHEMBL1679193 0.94
SCHEMBL1677972 0.94 DNM1 (0.48) DNM1TSHRLMNATHRBFDPS
SCHEMBL9211104 0.91 DNM1 (0.52) DNM1TSHRLMNATHRBFDPS
SCHEMBL7761898 0.90 OPRM1 (0.48) DNM1TSHRLMNATHRBFDPS
SCHEMBL1507445 0.87 TSHR (0.50) DNM1TSHRLMNATHRBFDPS
SCHEMBL7764680 0.87 TSHR (0.50) DNM1TSHRLMNATHRBFDPS
SCHEMBL7764720 0.87 TSHR (0.50) DNM1TSHRLMNATHRBFDPS
SCHEMBL7765585 0.87 TSHR (0.50) DNM1TSHRLMNATHRBFDPS
SCHEMBL7766637 0.87 TSHR (0.50) DNM1TSHRLMNATHRBFDPS
SCHEMBL1678773 0.87

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001092420-A2 PERYLENE DYES WITH PERSISTENT FLUORESCENCE CAUSED BY STERIC INHIBITION OF AGGREGATION RADIANT COLOR N.V. (BE) 2001-12-06 WO claimed
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-4308269-A ANTITUMOUR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-29 US disclosed
EP-0021173-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1981-01-07 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 594/4885LMNA 2091/4885
US-20080004301-A1 Benzene Compound Having 2 or More Substituents NR1H2, NR1H3, NCOR2 DNM1 4261/4885TSHR 47/4885LMNA 3203/4885

“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.