SCHEMBL7036852

SCHEMBL7036852

NCCC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
FABP5 Q01469 3/20 0.50
FABP7 O15540 2/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
HTR2A P28223 1/20 0.48
EPHX2 P34913 1/20 0.48
CASP3 P42574 2/20 0.40
POLB P06746 1/20 0.39
CYP1A2 P05177 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
SCHEMBL5497604 0.91 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2
SCHEMBL7132450 0.90 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL12187737 0.88 KMT2A (0.64) KMT2AFABP5FABP7CA1CA2
SCHEMBL3623157 0.88 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2
SCHEMBL2194902 0.88 KMT2A (0.53) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL18981946 0.87 KMT2A (0.62) KMT2AFABP5FABP7CA1CA2
SCHEMBL10261416 0.87 KMT2A (0.55) KMT2AFABP5FABP7CA1CA2
SCHEMBL14759878 0.87 KMT2A (0.60) KMT2AFABP5FABP7CA1CA2
SCHEMBL5497609 0.85 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL7262938 0.85 KMT2A (0.50) KMT2AFABP5FABP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170246326-A1 Modular Imaging Agents Containing Amino Acids and Peptides ROCHESTER INSTITUTE OF TECHNOLOGY (US) 2017-08-31 US disclosed
US-20160251378-A1 Transmetalation Methods for the Synthesis of PET and SPECT Imaging Agents ROCHESTER INSTITUTE OF TECHNOLOGY (US) 2016-09-01 US disclosed
US-20030207400-A1 Vectors for dna delivery BIANCHI ELISABETTA (IT) 2003-11-06 US disclosed
EP-1290198-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2003-03-12 EP disclosed
WO-2001088160-A2 VECTORS FOR DNA DELIVERY ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI, S.P.A. (IT) 2001-11-22 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-20160251378-A1 Transmetalation Methods for the Synthesis of PET and SPECT Imaging Agents SLC39A7, SLC39A14, SLC35A1 KMT2A 1481/4885FABP5 2675/4885FABP7 286/4885
US-20170246326-A1 Modular Imaging Agents Containing Amino Acids and Peptides SLC43A1, TAP1, TFIP11 KMT2A 1561/4885FABP5 352/4885FABP7 75/4885

“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.