SCHEMBL19756830

SCHEMBL19756830

CC(C)(C)OC(=O)CCC(N)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
APP P05067 1/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SLC1A1 P43005 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
STING1 Q86WV6 1/20 0.31
LTA4H P09960 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL17548574 1.00 CYP2D6 (0.37) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL18326687 1.00 CYP2D6 (0.37) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL28302938 0.83 HDAC3 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31301833 0.83 ANPEP (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1411236 0.82 SLC1A1 (0.52) SLC1A1MEN1GAAKMT2AGRM8
SCHEMBL10046708 0.82 SLC1A1 (0.35) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL130831 0.82 SLC1A1 (0.52) SLC1A1MEN1GAAKMT2AGRM8
SCHEMBL283240 0.82 KMT2A (0.36) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL1654337 0.82 LTA4H (0.43) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL172526 0.82 SLC1A1 (0.52) SLC1A1MEN1GAAKMT2AGRM8

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-20230285603-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES CORNELL UNIVERSITY (US) 2023-09-14 US disclosed
US-20180099934-A1 PSMA-TARGETED NIR DYES AND THEIR USES On Target Laboratories, Inc. 2018-04-12 US disclosed
US-20170369454-A1 18F-LABELED TRIAZOLE CONTAINING PSMA INHIBITORS UNIV CORNELL (US) 2017-12-28 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 (3 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-20180099934-A1 PSMA-TARGETED NIR DYES AND THEIR USES FOLH1, KLK3, PSMA6 CYP2D6 1773/4885HDAC3 2789/4885HDAC1 2161/4885
US-20230285603-A1 TRIFUNCTIONAL CONSTRUCTS WITH TUNABLE PHARMACOKINETICS USEFUL IN IMAGING AND ANTI-TUMOR THERAPIES VHL, GLS, GPER1 CYP2D6 1524/4885HDAC3 2000/4885HDAC1 3483/4885
US-20170369454-A1 18F-LABELED TRIAZOLE CONTAINING PSMA INHIBITORS PSMA3, FOLH1, PSMA1 CYP2D6 3636/4885HDAC3 91/4885HDAC1 124/4885

“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.