SCHEMBL14583141

SCHEMBL14583141

CCCCOC(=O)CNCCNC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.55
TLR2 O60603 5/20 0.43
TLR1 Q15399 1/20 0.43
EPHX2 P34913 1/20 0.42
LTA4H P09960 2/20 0.41

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
SCHEMBL20665019 0.93 KMT2A (0.54) KMT2ATLR2TLR1EPHX2
SCHEMBL23567985 0.90 KMT2A (0.54) KMT2ATLR2TLR1EPHX2
SCHEMBL20665020 0.89 KMT2A (0.56) KMT2AEPHX2LTA4H
SCHEMBL20759374 0.87 KMT2A (0.54) KMT2ATLR2TLR1EPHX2
SCHEMBL20759216 0.87 KMT2A (0.54) KMT2ATLR2TLR1EPHX2
SCHEMBL1007491 0.86 KMT2A (0.58) KMT2AEPHX2
Hydrochloric Acid SCHEMBL7876414 0.85 KMT2A (0.57) KMT2AEPHX2
SCHEMBL8236471 0.84 KMT2A (0.70) KMT2AEPHX2
SCHEMBL13319574 0.83 KMT2A (0.59) KMT2AEPHX2
SCHEMBL4572008 0.82 KMT2A (0.73) KMT2ATLR2EPHX2

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-8853149-B2 Integrin interaction inhibitors for the treatment of cancer H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-10-07 US disclosed
US-20130065837-A1 INTEGRIN INTERACTION INHIBITORS FOR THE TREATMENT OF CANCER UNIVERSITY OF SOUTH FLORIDA (US) 2013-03-14 US disclosed
US-20070072802-A1 Peptide nucleic acid based guanidinium compounds NITTO DENKO CORPORATION (JP) 2007-03-29 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 (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-20130065837-A1 INTEGRIN INTERACTION INHIBITORS FOR THE TREATMENT OF CANCER ITGB1, ITGB7, ITGA2B KMT2A 1572/4885TLR2 3733/4885TLR1 3702/4885
US-20070072802-A1 Peptide nucleic acid based guanidinium compounds SLC29A1, SLC29A2, SLC28A1 KMT2A 4167/4885TLR2 1447/4885TLR1 1188/4885

“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.