SCHEMBL14330331

SCHEMBL14330331

CCC(=O)NC(CCCCN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 6/20 0.53
HDAC7 Q8WUI4 6/20 0.53
HDAC8 Q9BY41 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HDAC3 O15379 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC2 Q92769 2/20 0.50
HDAC10 Q969S8 2/20 0.50
HDAC11 Q96DB2 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
HDAC9 Q9UKV0 2/20 0.50
HDAC5 Q9UQL6 2/20 0.50
HPGD P15428 1/20 0.50
RRM1 P23921 1/20 0.48
ALDH1A1 P00352 5/20 0.46
TDP1 Q9NUW8 2/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 3/20 0.46
L3MBTL1 Q9Y468 2/20 0.46

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
SCHEMBL6356730 0.88 HDAC1 (0.53) HDAC1HDAC7HDAC8SMN1; SMN2HDAC3
SCHEMBL31649040 0.81 ALDH1A1 (0.52) HDAC1HDAC7HDAC4RRM1ALDH1A1
SCHEMBL6789997 0.81 KMT2A (0.56) HPGDRRM1ALDH1A1KMT2AKDM4E
SCHEMBL6358058 0.81 RRM1 (0.47) HDAC1HDAC7HDAC8SMN1; SMN2HDAC3
SCHEMBL12087999 0.79 CYP3A4 (0.53) HDAC1HDAC7TDP1L3MBTL1
SCHEMBL14417310 0.79 HDAC7 (0.53) HDAC1HDAC7HDAC8SMN1; SMN2HDAC3
SCHEMBL12088102 0.78 SIRT2 (0.53) HDAC1HDAC7HDAC8HDAC3HDAC4
SCHEMBL6843799 0.78 TDP1 (0.58) HDAC1HDAC7HDAC8SMN1; SMN2HDAC3
SCHEMBL2640680 0.77 ALDH1A1 (0.51) HDAC1HDAC7ALDH1A1
SCHEMBL31649378 0.77 ALDH1A1 (0.51) HDAC1HDAC7ALDH1A1

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-8729258-B2 Luminescent macrocyclic lanthanide complexes THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-20 US disclosed
US-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-12-27 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-20120329174-A1 LUMINESCENT MACROCYCLIC LANTHANIDE COMPLEXES SSB, HACD3, CLTA HDAC1 2443/4885HDAC7 3523/4885HDAC8 3060/4885

“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.