SCHEMBL17753728

SCHEMBL17753728

CC(N)C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
EPHX2 P34913 1/20 0.50
FABP5 Q01469 3/20 0.49
FABP7 O15540 2/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CASP3 P42574 2/20 0.44
HTR2A P28223 1/20 0.43

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
SCHEMBL7037298 1.00 KMT2A (0.54) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL30341743 0.88 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL768971 0.87 KMT2A (0.52) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL29823827 0.86 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL7391410 0.85 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL7389338 0.85 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL7393490 0.85 KMT2A (0.49) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL8236718 0.84 KMT2A (0.51) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL28758363 0.84 KMT2A (0.54) KMT2AEPHX2FABP5FABP7CA1
SCHEMBL20623130 0.84 KMT2A (0.50) KMT2AEPHX2FABP5FABP7CA1

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-11779646-B2 Dynamic user-programmable materials including stimuli-responsive proteins UNIVERSITY OF WASHINGTON (US) 2023-10-10 US disclosed
US-20160137689-A1 PEPTIDE-RESIN CONJUGATE AND USE THEREOF CHEMICAL & BIOPHARMACEUTICAL LABORATORIES OF PATRAS S.A. 2016-05-19 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-11779646-B2 Dynamic user-programmable materials including stimuli-responsive proteins MSN, SUMO2, PEBP1 KMT2A 1779/4885EPHX2 3723/4885FABP5 407/4885
US-20160137689-A1 PEPTIDE-RESIN CONJUGATE AND USE THEREOF ARGLU1, ARG1, NPR1 KMT2A 1856/4885EPHX2 460/4885FABP5 3777/4885

“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.