SCHEMBL626166

SCHEMBL626166

COc1cc(/C=C2/CCCC(C(=O)/C=C/c3ccc(OC(=O)C(N)C(C)C)c(OC)c3)C2=O)ccc1OC(=O)C(N)C(C)C

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 1/20 0.58
FGFR1 P11362 11/20 0.53
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 4/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
PLIN1 O60240 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
PLIN5 Q00G26 1/20 0.39
ABHD5 Q8WTS1 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39

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
SCHEMBL626167 1.00 PSMB5 (0.58) PSMB5FGFR1MEN1KMT2ANPC1
SCHEMBL13341572 0.89 PSMB5 (0.49) PSMB5FGFR1MEN1KMT2ANPC1
SCHEMBL610173 0.88 PSMB5 (0.43) PSMB5FGFR1MEN1KMT2ANPC1
SCHEMBL610174 0.88 PSMB5 (0.43) PSMB5FGFR1MEN1KMT2ANPC1
SCHEMBL608845 0.85 FGFR1 (0.47) PSMB5FGFR1MEN1KMT2ANPC1
SCHEMBL608846 0.85 FGFR1 (0.47) PSMB5FGFR1MEN1KMT2ANPC1
SCHEMBL10061375 0.84 CCR6 (0.40) PSMB5FGFR1MEN1KMT2ANPC1
Lysine SCHEMBL16061827 0.82 FGFR1 (0.44) PSMB5FGFR1MEN1KMT2ANPC1
SCHEMBL22349310 0.82 MEN1 (0.56) PSMB5MEN1KMT2ANPC1HPGD
SCHEMBL17693091 0.81 MEN1 (0.59) PSMB5FGFR1MEN1KMT2AHPGD

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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 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-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG PSMB5 1264/4885FGFR1 4281/4885MEN1 4644/4885

“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.