SCHEMBL908951

SCHEMBL908951

COc1nc(/C=C(/C(=O)O)C(C)(C)C)ccc1NC(=O)CC(OC)OC

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
FPR2 P25090 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
P2RX7 Q99572 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
UCHL3 P15374 1/20 0.31
MAPT P10636 2/20 0.30
HPGD P15428 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL908954 1.00 GAA (0.34) GAAHTTRECQLALDH1A1SMN1; SMN2
SCHEMBL909372 0.80 GAA (0.39) GAAHTTRECQLALDH1A1SMN1; SMN2
SCHEMBL909377 0.80 GAA (0.39) GAAHTTRECQLALDH1A1SMN1; SMN2
SCHEMBL909145 0.65 CYP11B1 (0.38) HTTALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL909146 0.65 CYP11B1 (0.38) HTTALDH1A1SMN1; SMN2CYP3A4MAPT
SCHEMBL909496 0.65 PSEN1 (0.41) CYP3A4CYP2C19
SCHEMBL1885751 0.62
SCHEMBL30022962 0.61 ALDH1A1 (0.51) GAAALDH1A1SMN1; SMN2NPSR1P2RX7
SCHEMBL27258900 0.61 HTT (0.70) GAAHTTRECQLALDH1A1SMN1; SMN2
SCHEMBL1878441 0.60 TERT (0.37) ALDH1A1

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-7935815-B2 Imidazoyl pyridine compounds and salts thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-05-03 US disclosed
US-20110009619-A1 POLYCYCLIC COMPOUND EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-01-13 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-20110009619-A1 POLYCYCLIC COMPOUND APP, BACE1, PSEN1 GAA 2325/4885HTT 10/4885RECQL 2398/4885

“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.