SCHEMBL6285017

SCHEMBL6285017

C=CCN(CCCCCCCCCC)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
FABP5 Q01469 3/20 0.37
FABP7 O15540 2/20 0.37
TLR2 O60603 6/20 0.37
EPHX2 P34913 1/20 0.36
EYA2 O00167 1/20 0.35
CASP3 P42574 1/20 0.35
POLB P06746 1/20 0.35
TNF P01375 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
SCHEMBL307644 0.90 KMT2A (0.41) KMT2AFABP5FABP7TLR2EPHX2
SCHEMBL29883728 0.90 KMT2A (0.41) KMT2AFABP5FABP7TLR2EPHX2
SCHEMBL307102 0.85 KMT2A (0.42) KMT2AFABP5FABP7TLR2EPHX2
SCHEMBL28416919 0.84 KMT2A (0.40) KMT2AFABP5FABP7TLR2EPHX2
SCHEMBL31040664 0.84 KMT2A (0.46) KMT2AFABP5FABP7TLR2CASP3
SCHEMBL17108591 0.84 KMT2A (0.44) KMT2AFABP5FABP7TLR2EPHX2
SCHEMBL30861809 0.84 KMT2A (0.46) KMT2AFABP5FABP7TLR2CASP3
SCHEMBL28414420 0.84 KMT2A (0.46) KMT2AFABP5FABP7TLR2CASP3
SCHEMBL21838102 0.84 KMT2A (0.46) KMT2AFABP5FABP7TLR2CASP3
SCHEMBL3792078 0.83 KMT2A (0.54) KMT2AFABP5FABP7TLR2EPHX2

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-6951963-B2 Process for preparing N-protected β-amino aldehyde compounds THERAVANCE, INC. (US) 2005-10-04 US disclosed
WO-2003106399-A2 PROCESS FOR PREPARING N-PROTECTED β-AMINO ALDEHYDE COMPOUNDS THERAVANCE, INC. (US) 2003-12-24 WO disclosed
US-20030233010-A1 Process for perparing N-protected beta-amino aldehyde compounds CUMBERLAND PHARMACEUTICALS INC. 2003-12-18 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 (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-20030233010-A1 Process for perparing N-protected beta-amino aldehyde compounds DNPEP, PREP, ANPEP KMT2A 2254/4885FABP5 2344/4885FABP7 3411/4885

“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.