SCHEMBL4548527

SCHEMBL4548527

CCOOc1c(OC)cc(C(C)=O)cc1-c1cc(C(C)=O)cc(OC)c1CC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
GAA P10253 2/20 0.35
TSHR P16473 2/20 0.35
BPTF Q12830 1/20 0.34
TPMT P51580 1/20 0.34
MAPK1 P28482 2/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NFKB1 P19838 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HPGD P15428 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
SCHEMBL28520091 0.78 LMNA (0.58) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL13076341 0.70 LMNA (0.47) LMNAALDH1A1MEN1KMT2ATPMT
SCHEMBL17655755 0.70 TPMT (0.62) LMNAKMT2AGAATSHRTPMT
SCHEMBL12303222 0.69 LMNA (0.62) LMNAALDH1A1KDM4EMEN1KMT2A
Butane SCHEMBL3738130 0.67 LMNA (0.60) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL24861057 0.67 NCOA1 (0.55) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL290542 0.67 LMNA (0.69) LMNAALDH1A1KDM4EMEN1KMT2A
SCHEMBL13141010 0.66 LMNA (0.62) LMNAALDH1A1MEN1KMT2ATSHR
SCHEMBL19272078 0.66 LMNA (0.53) LMNAALDH1A1KDM4EMEN1KMT2A
Hydrochloric Acid SCHEMBL29142671 0.65 LMNA (0.67) LMNAALDH1A1KDM4EMEN1KMT2A

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-20120108549-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-05-03 US disclosed
WO-2010126719-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE MCW RESEARCH FOUNDATION, INC. (US) 2010-11-04 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 (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-20120108549-A1 NEUROPROTECTIVE COMPOUNDS AND THEIR USE NLN, ATP6V1B2, BDNF LMNA 653/4885ALDH1A1 978/4885KDM4E 4707/4885

“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.