SCHEMBL17346239

SCHEMBL17346239

CCC(C)N(CC)CCCNCCCSCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.36
SIGMAR1 Q99720 4/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34

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
SCHEMBL17346245 0.93 SIGMAR1 (0.38) CHRM2SIGMAR1ALDH1A1HPGDLMNA
SCHEMBL17346111 0.91 SIGMAR1 (0.40) CHRM2SIGMAR1ALDH1A1HPGDLMNA
SCHEMBL17346182 0.90 MEN1 (0.38) CHRM2SIGMAR1ALDH1A1HPGDLMNA
SCHEMBL17345892 0.87 ALDH1A1 (0.39) ALDH1A1HPGDLMNASMN1; SMN2MEN1
SCHEMBL17346190 0.86 SIGMAR1 (0.39) CHRM2SIGMAR1ALDH1A1HPGDLMNA
SCHEMBL17346154 0.86 SIGMAR1 (0.43) CHRM2SIGMAR1ALDH1A1HPGDLMNA
SCHEMBL17346049 0.82 ACKR3 (0.47) SIGMAR1LMNAMEN1MAPTKMT2A
SCHEMBL17346381 0.81 SIGMAR1 (0.38) SIGMAR1ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL17346163 0.81 GAA (0.47) CHRM2SIGMAR1LMNA
SCHEMBL17346235 0.80 SIGMAR1 (0.46) CHRM2SIGMAR1ALDH1A1HPGDLMNA

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 CHRM2 3013/4885SIGMAR1 412/4885ALDH1A1 862/4885
US-10550139-B2 Polydentate ligands and their complexes for molecular catalysis NANS, NCL, NCLN CHRM2 3013/4885SIGMAR1 412/4885ALDH1A1 862/4885

“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.