SCHEMBL14725587

SCHEMBL14725587

CCC(C)(CC(C)(CC(C)(CC(C)(C)C(=O)OCCc1cn(C)nn1)C(=O)NCCCCCC(=O)NC)C(=O)OCCc1cn(CCCO)nn1)C(=O)NCC(C)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ZDHHC20 Q5W0Z9 1/20 0.35
▸ FOLH1 Q04609 3/20 0.32
▸ HDAC3 O15379 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC7 Q8WUI4 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ HDAC10 Q969S8 1/20 0.32
▸ HDAC11 Q96DB2 1/20 0.32
▸ HDAC8 Q9BY41 1/20 0.32
▸ HDAC6 Q9UBN7 1/20 0.32
▸ HDAC9 Q9UKV0 1/20 0.32
▸ HDAC5 Q9UQL6 1/20 0.32
▸ NCOR2 Q9Y618 1/20 0.32

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
SCHEMBL18752092 0.78 ZDHHC20 (0.31) ZDHHC20FOLH1
SCHEMBL14725591 0.73 MAPT (0.32) —
SCHEMBL14725593 0.71 — —
SCHEMBL14725590 0.70 — —
SCHEMBL14725588 0.65 — —
SCHEMBL14725592 0.62 — —
SCHEMBL22473831 0.61 EPHX2 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL22895210 0.61 EPHX2 (0.52) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL18593475 0.60 HDAC1 (0.46) FOLH1HDAC1
SCHEMBL21087691 0.58 EPHX2 (0.57) —

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-9198972-B2 Monomers and oligonucleotides comprising cycloaddition adduct(s) ALNYLAM PHARMACEUTICALS, INC. (US) 2015-12-01 — — US disclosed
US-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) ALNYLAM PHARMACEUTICALS, INC. (US) 2013-02-28 — — 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 (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-20130053334-A1 MONOMERS AND OLIGONUCLEOTIDES COMPRISING CYCLOADDITION ADDUCT(S) DNMT1, FANCI, PCNA ZDHHC20 3158/4885FOLH1 3883/4885HDAC3 3944/4885

“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.

Send feedback