SCHEMBL1149486

SCHEMBL1149486

CCCCOC(=O)C(NC(=O)O)C(c1ccc(O)c(O)c1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.42
ESR1 P03372 5/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
NR1I2 O75469 1/20 0.37
PTGS1 P23219 1/20 0.37
ADRA1A P35348 1/20 0.37
LMNA P02545 1/20 0.37
BLM P54132 1/20 0.37
GAA P10253 1/20 0.37
XBP1 P17861 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL1149294 0.84 TDP1 (0.43) SMN1; SMN2MAPK1TDP1NR1I2PTGS1
SCHEMBL186927 0.74 APP (0.51) APPESR1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL186928 0.74 APP (0.51) APPESR1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL4448687 0.73 SMN1; SMN2 (0.52) APPESR1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL28030905 0.72 MAPT (0.50) SMN1; SMN2MAPK1L3MBTL1NPC1HPGD
SCHEMBL4448685 0.71 APP (0.48) APPESR1SMN1; SMN2MAPK1L3MBTL1
SCHEMBL1673397 0.69 ESR1 (0.44) ESR1SMN1; SMN2NPSR1
SCHEMBL23431893 0.68 SRC (0.41) MAPK1HPGDTDP1NR1I2PTGS1
SCHEMBL21606671 0.68 SRC (0.41) MAPK1HPGDTDP1NR1I2PTGS1
SCHEMBL11689234 0.68 L3MBTL1 (0.55) APPESR1SMN1; SMN2MAPK1L3MBTL1

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-8722923-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2014-05-13 US disclosed
US-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS BAR-ILAN UNIVERSITY (IL) 2012-11-01 US disclosed
EP-2252578-B1 CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS UNIV RAMOT (IL) 2012-08-01 EP disclosed
US-8207369-B2 Conjugates for treating neurodegenerative diseases and disorders RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2012-06-26 US disclosed
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2011-02-10 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 (2 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-20120277310-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, GABRB2, SLC6A13 APP 207/4885ESR1 4113/4885SMN1; SMN2 55/4885
US-20110034553-A1 NOVEL CONJUGATES FOR TREATING NEURODEGENERATIVE DISEASES AND DISORDERS SLC18A2, SNCA, SLC6A13 APP 229/4885ESR1 4297/4885SMN1; SMN2 45/4885

“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.