SCHEMBL5656956

SCHEMBL5656956

CCCCCCCCCCCCCCCC(=O)C(C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
ASAH1 Q13510 1/20 0.49
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 2/20 0.45
MAPT P10636 1/20 0.44
POLB P06746 1/20 0.44
TSHR P16473 1/20 0.44
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2821892 0.84 LMNA (0.60) LMNAALDH1A1HTTNPC1KMT2A
SCHEMBL10455773 0.80 ALDH1A1 (0.50) LMNAASAH1ALDH1A1HTTKMT2A
SCHEMBL27460365 0.78 CES2 (0.46) KMT2AMEN1
SCHEMBL28536859 0.76 LMNA (0.58) LMNAALDH1A1HTTNPC1KMT2A
SCHEMBL9057075 0.75 ASAH1 (0.61) ASAH1NR1H2NR1H3
SCHEMBL29257418 0.75 TDP1 (0.54) LMNAASAH1ALDH1A1NPC1KMT2A
SCHEMBL30423475 0.75 TDP1 (0.54) LMNAASAH1ALDH1A1NPC1KMT2A
SCHEMBL27572474 0.74 ASAH1 (0.47) LMNAASAH1ALDH1A1POLBNR1H2
SCHEMBL27455907 0.74 L3MBTL1 (0.48) LMNAALDH1A1HTTNPC1KMT2A
SCHEMBL27455908 0.74 L3MBTL1 (0.48) LMNAALDH1A1HTTNPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060235082-A1 Long-chain, straight-chain 2-amino-3-hydroxyalkanes RINEHART KENNETH L 2006-10-19 US disclosed
US-7109244-B2 Compositions and methods comprising long-chain, straight-chain 2-amino-3-hydroxyalkanes RINEHART KENNETH L 2006-09-19 US disclosed
US-20060183806-A9 COMPOSITIONS AND METHODS COMPRISING LONG-CHAIN, STRAIGHT-CHAIN 2-AMINO-3- HYDROXYALKANES RINEHART KENNETH L 2006-08-17 US disclosed
US-RE38793-E1 Spisulosine compounds RINEHART KENNETH L 2005-09-06 US disclosed
EP-1069894-B1 SPISULOSINE COMPOUNDS HAVING ANTITUMOUR ACTIVITY UNIV ILLINOIS (US) 2005-08-31 EP disclosed
US-6800661-B1 Spisulosine compounds BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2004-10-05 US disclosed
US-20040147615-A1 Spisulosine compounds RINEHART KENNETH L (US) 2004-07-29 US disclosed
EP-1069894-A1 SPISULOSINE COMPOUNDS HAVING ANTITUMOUR ACTIVITY The Board of Trustees for the University of Illinois (US) 2001-01-24 EP disclosed
US-6107520-A SHOW UNIQUE CYTOTOXICITY AGAINST MURINE LYMPHOCYTIC LEUKEMIA CELLS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-08-22 US disclosed
WO-1999052521-A1 SPISULOSINE COMPOUNDS HAVING ANTITUMOUR ACTIVITY THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 1999-10-21 WO 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-20060235082-A1 Long-chain, straight-chain 2-amino-3-hydroxyalkanes SLC3A2, HACL2, CLSPN LMNA 814/4885ASAH1 893/4885ALDH1A1 556/4885
US-20040147615-A1 Spisulosine compounds CLSPN, SPIN3, OAT LMNA 554/4885ASAH1 519/4885ALDH1A1 2109/4885
US-20060183806-A9 COMPOSITIONS AND METHODS COMPRISING LONG-CHAIN, STRAIGHT-CHAIN 2-AMINO-3- HYDROXYALKANES NEFM, OAT, POLM LMNA 273/4885ASAH1 790/4885ALDH1A1 1766/4885

“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.