SCHEMBL2949995

SCHEMBL2949995

C=CCOc1c(C=O)ccc(OC)c1-c1nccc2ccccc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ERN1 O75460 4/20 0.37
HPGD P15428 2/20 0.37
MYB P10242 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NISCH Q9Y2I1 1/20 0.35
EGFR P00533 1/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
GAA P10253 2/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL2418389 0.92 HPGD (0.39) MAPTNPC1RAB9AERN1HPGD
SCHEMBL2421361 0.79 MEN1 (0.42) MAPTNPC1RAB9AERN1HPGD
SCHEMBL2417832 0.77 GAA (0.48) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7642915 0.73 MAPT (0.66) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL2417802 0.70 GAA (0.42) MAPTNPC1RAB9AERN1HPGD
SCHEMBL14172740 0.70 KDM4E (0.60) NPC1RAB9AERN1HPGDSMN1; SMN2
SCHEMBL5716738 0.70 MAPT (0.40) MAPTNPC1RAB9AMEN1KMT2A
SCHEMBL2414362 0.69 GAA (0.41) MAPTNPC1RAB9AALDH1A1MEN1
SCHEMBL5723153 0.68 KDM4E (0.43) MAPTNPC1RAB9AERN1HPGD
SCHEMBL2421608 0.67 S1PR1 (0.45) ERN1HPGDSMN1; SMN2ALDH1A1MEN1

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-7754744-B2 Substituted piperidinamines as somatostatin receptor subtype 5 (SSTR5) antagonists HOFFMANN-LA ROCHE INC. (US) 2010-07-13 US disclosed
US-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives F. HOFFMANN-LA ROCHE AG (CH) 2008-02-21 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-20080045544-A1 Phenyl, Pyridine, Quinoline, Isoquinoline, Naphthyridine and Pyrazine Derivatives SSTR5, SSTR3, SSTR1 MAPT 3206/4885NPC1 1205/4885RAB9A 2541/4885

“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.