SCHEMBL10037102

SCHEMBL10037102

CC(C)NCCCCC1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.62
CYP1A2 P05177 1/20 0.50
BCHE P06276 1/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
EPHX1 P07099 1/20 0.38

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
SCHEMBL9965782 0.94 SIGMAR1 (0.53) SIGMAR1CYP1A2BCHEMEN1KMT2A
Hydrochloric Acid SCHEMBL4348821 0.92 SIGMAR1 (0.52) SIGMAR1CYP1A2BCHEMEN1KMT2A
SCHEMBL14176596 0.85 MEN1 (0.47) SIGMAR1CYP1A2BCHEMEN1KMT2A
SCHEMBL8394039 0.85 SIGMAR1 (0.42) SIGMAR1CYP1A2BCHEMEN1KMT2A
SCHEMBL16311942 0.82 SIGMAR1 (0.43) SIGMAR1MEN1KMT2A
SCHEMBL20666382 0.82 MEN1 (0.45) SIGMAR1CYP1A2BCHEMEN1KMT2A
SCHEMBL28668294 0.81 SIGMAR1 (0.50) SIGMAR1CYP1A2BCHEEPHX1
SCHEMBL26431397 0.78 SIGMAR1 (0.96) SIGMAR1CYP1A2TNKS2EPHX1
SCHEMBL6975263 0.78 SIGMAR1 (0.96) SIGMAR1CYP1A2TNKS2EPHX1
SCHEMBL25123272 0.78 SIGMAR1 (0.40) SIGMAR1CYP1A2BCHEEPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371293-A1 Amine Cationic Lipids and Uses Thereof DICERNA PHARMACEUTICALS, INC. (US) 2014-12-18 US disclosed
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2012-01-26 US disclosed
US-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use EMORY UNIVERSITY (US) 2011-11-17 US 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-20140371293-A1 Amine Cationic Lipids and Uses Thereof SGMS2, SLC43A1, SGMS1 SIGMAR1 666/4885CYP1A2 4850/4885BCHE 2943/4885
US-20110281908-A1 Aminoquinoline Derived Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AB2P, HSP90AA1 SIGMAR1 3501/4885CYP1A2 2780/4885BCHE 2653/4885
US-20120022070-A1 Heat Shock Protein 90 Inhibitors, Methods Of Preparing Same, And Methods For Their Use HSP90AB1, HSP90AA1, HSP90AB2P SIGMAR1 3928/4885CYP1A2 3967/4885BCHE 3267/4885

“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.