SCHEMBL12397455

SCHEMBL12397455

COC(=O)c1c(OCc2ccccc2)c(=O)ccn1CC(C)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
NPC1 O15118 1/20 0.46
LMNA P02545 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GLRA1 P23415 2/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.39
KDM4E B2RXH2 2/20 0.38
TDP1 Q9NUW8 2/20 0.38

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
SCHEMBL1842254 0.92 ALDH1A1 (0.51) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL12239935 0.90 ALDH1A1 (0.49) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL12239944 0.90 HTT (0.49) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL12397453 0.89 ALDH1A1 (0.48) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL1357175 0.89 ALDH1A1 (0.48) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL1357442 0.89 HTT (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL12239945 0.83 HTT (0.51) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL12239928 0.82 LMNA (0.44) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL29062620 0.82 HTT (0.70) ALDH1A1HTTHPGDSMN1; SMN2MEN1
SCHEMBL12239938 0.82 HTT (0.50) ALDH1A1HTTHPGDSMN1; SMN2MEN1

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-8580967-B2 Methyl 3-(benzyloxy)-1-(2,2-dihydroxyethyl)-4-oxo-1,4-dihydropyridine-2-carboxylate and processes for the preparation thereof SHIONOGI & CO., LTD. (JP) 2013-11-12 US disclosed
US-20110183940-A1 CHEMICAL COMPOUNDS VIIV HEALTHCARE COMPANY 2011-07-28 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-20110183940-A1 CHEMICAL COMPOUNDS PAICS, APRT, SAMHD1 ALDH1A1 1616/4885HTT 3836/4885HPGD 1293/4885

“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.