SCHEMBL17338024

SCHEMBL17338024

O=C(O)CNC1CCCCCCC1.[Zn]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
DPP7 Q9UHL4 5/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 3/20 0.45
DPP4 P27487 7/20 0.45
FAP Q12884 4/20 0.45
EPHX1 P07099 5/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 1/20 0.44
CYP3A4 P08684 1/20 0.44
EPHX2 P34913 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL250459 0.98 ALDH1A1 (0.50) ALDH1A1DPP7MEN1KMT2AKDM4E
SCHEMBL28833359 0.98 ALDH1A1 (0.50) ALDH1A1DPP7MEN1KMT2AKDM4E
SCHEMBL163395 0.98 ALDH1A1 (0.50) ALDH1A1DPP7MEN1KMT2AKDM4E
SCHEMBL122347 0.98 ALDH1A1 (0.50) ALDH1A1DPP7MEN1KMT2AKDM4E
SCHEMBL201078 0.98 ALDH1A1 (0.50) ALDH1A1DPP7MEN1KMT2AKDM4E
SCHEMBL173401 0.98 ALDH1A1 (0.50) ALDH1A1DPP7MEN1KMT2AKDM4E
SCHEMBL159315 0.98 ALDH1A1 (0.50) ALDH1A1DPP7MEN1KMT2AKDM4E
Hydrochloric Acid SCHEMBL6826101 0.95 ALDH1A1 (0.48) ALDH1A1DPP7MEN1KMT2AKDM4E
SCHEMBL22029349 0.95 ALDH1A1 (0.48) ALDH1A1DPP7MEN1KMT2AKDM4E
SCHEMBL17338009 0.95 ALDH1A1 (0.48) ALDH1A1DPP7MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BRIGHAM YOUNG UNIVERSITY (US) 2017-05-11 US disclosed
WO-2015192037-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS BUSATH DAVID D (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 (1 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-20170128489-A1 ORGANO-TRANSITION METAL COMPLEXES FOR THE TREATMENT OF VIRAL INFECTIONS HVCN1, TRPM8, TRPM2 ALDH1A1 3851/4885DPP7 856/4885MEN1 672/4885

“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.