SCHEMBL17345982

SCHEMBL17345982

CCCN(CCN(C)CCCSc1ccccc1)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.47
SIGMAR1 Q99720 4/20 0.46
ACKR3 P25106 1/20 0.43
BCHE P06276 4/20 0.42
HRH3 Q9Y5N1 1/20 0.41
SLC2A1 P11166 1/20 0.40
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
RORC P51449 1/20 0.38
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL17346006 0.92 BCHE (0.49) ACKR3BCHEHRH3SLC2A1TSHR
SCHEMBL17346020 0.88 SLC2A1 (0.48) FDPSSIGMAR1ACKR3BCHESLC2A1
SCHEMBL17346044 0.87 ACKR3 (0.49) FDPSSIGMAR1ACKR3SLC2A1TSHR
SCHEMBL17346007 0.85 MAPT (0.47) ACKR3BCHESLC2A1
SCHEMBL17345995 0.83 SLC2A1 (0.59) SIGMAR1BCHESLC2A1MAOB
SCHEMBL17346123 0.83 CALM1 (0.49) FDPSSIGMAR1ACKR3BCHESLC2A1
SCHEMBL17345981 0.82 SLC2A1 (0.51) FDPSSIGMAR1ACKR3BCHESLC2A1
SCHEMBL17345931 0.80 HTT (0.47) FDPSSIGMAR1ACKR3SLC2A1TSHR
SCHEMBL17346100 0.80 DRD2 (0.46) FDPSSIGMAR1ACKR3BCHEHRH3
SCHEMBL17346047 0.80 SLC2A1 (0.41) FDPSACKR3BCHESLC2A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis TRIAD NATIONAL SECURITY, LLC (US) 2020-02-04 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
US-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS TRIAD NATIONAL SECURITY, LLC 2017-03-30 US disclosed
WO-2015191505-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS LOS ALAMOS NATIONAL SECURITY, LLC (US) 2015-12-17 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 (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-20170088571-A1 POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS NANS, NCL, NCLN FDPS 123/4885SIGMAR1 412/4885ACKR3 1678/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN FDPS 123/4885SIGMAR1 412/4885ACKR3 1678/4885

“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.