SCHEMBL782398

SCHEMBL782398

CC(C)(C)OC(=O)CN(CC(=O)OC(C)(C)C)C(=O)CCl

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
CASR P41180 1/20 0.30
NR1D1 P20393 2/20 0.30
NR1H3 Q13133 1/20 0.30
CYP2D6 P10635 1/20 0.30
FAAH O00519 1/20 0.30

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
SCHEMBL782399 0.93 MEN1 (0.31) TDP1MEN1NPC1RAB9AKMT2A
SCHEMBL1966612 0.82 ALDH1A1 (0.37) HDAC6HDAC1HDAC2TDP1RAB9A
SCHEMBL6534709 0.82 HDAC6 (0.33) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL1742305 0.80 AKT1 (0.39) HDAC6HDAC1HDAC2CASRNR1D1
SCHEMBL13110654 0.78 CA14 (0.34) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL9893327 0.77 PHF8 (0.39) HDAC6HDAC1HDAC2TDP1CASR
SCHEMBL15143768 0.77 HDAC6 (0.34) HDAC6HDAC1HDAC2TDP1CASR
SCHEMBL28409176 0.77 CA14 (0.41) CA14HDAC6HDAC1HDAC2CASR
SCHEMBL7176207 0.76 DGAT1 (0.34) CA14HDAC6HDAC1HDAC2TDP1
SCHEMBL19511467 0.76 L3MBTL1 (0.35) CA14CASRCYP2D6

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-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
US-20120070856-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) 2012-03-22 US disclosed
WO-2010100238-A1 CROSS-LINKING AGENTS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2010-09-10 WO disclosed
EP-2226314-A1 Cross-linking agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE -CNRS- (FR) 2010-09-08 EP 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-20120070856-A1 CROSS-LINKING AGENTS ORC3, TXN, PROC CA14 3490/4885HDAC6 2616/4885HDAC1 1214/4885

“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.