SCHEMBL14213236

SCHEMBL14213236

CCc1cc(C(C)(C)C)cc(Cc2cc(C(C)(C)C)cc(Cc3cc(C(C)(C)C)cc(Cc4cc(C(C)(C)C)cc(C)c4OCC(=O)NCCCN)c3OCC(=O)NCCCN)c2OCC(=O)NCCCN)c1OCC(=O)NCCCN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 1/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
ELANE P08246 1/20 0.33
CD69 Q07108 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
HPGD P15428 2/20 0.33
FAAH O00519 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NR5A2 O00482 1/20 0.32
NR5A1 Q13285 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
SCHEMBL14213234 0.93 LMNA (0.36) TSHRHTTLMNAALDH1A1BCHE
SCHEMBL15479693 0.89 BCHE (0.43) TSHRHTTLMNAALDH1A1BCHE
SCHEMBL13992482 0.89 LMNA (0.39) TSHRHTTLMNAALDH1A1BCHE
SCHEMBL14213245 0.81 ALDH1A1 (0.42) TSHRHTTLMNAALDH1A1KDM4E
SCHEMBL14213232 0.81 GAA (0.37) TSHRALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL14213237 0.80 TLR4 (0.33) HTR1DHTR1BKDM4E
SCHEMBL13992486 0.80 TLR4 (0.33) HTR1DHTR1BKDM4E
SCHEMBL13992481 0.80 NPSR1 (0.52) TSHRHTTLMNAALDH1A1KDM4E
SCHEMBL14213255 0.79 CD69 (0.54) ALDH1A1ELANECD69HPGD
SCHEMBL26783100 0.77 ESR1 (0.39) ALDH1A1KDM4EELANECD69L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2012-12-06 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-20120309801-A1 CALIXARENE-BASED PEPTIDE CONFORMATION MIMETICS, METHODS OF USE, AND METHODS OF MAKING CLSPN, BID, CALU TSHR 2578/4885HTT 4683/4885LMNA 2115/4885

“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.