SCHEMBL6071098

SCHEMBL6071098

COC(=O)CC(Nc1ccccc1OC)c1cc2ccccc2o1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.54
NPC1 O15118 6/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
MAOB P27338 3/20 0.51
ALDH1A1 P00352 7/20 0.48
HPGD P15428 6/20 0.48
HSD17B10 Q99714 5/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TP53 P04637 2/20 0.48
POLB P06746 1/20 0.48
ALOX15 P16050 1/20 0.48
GAA P10253 1/20 0.46
KDM4E B2RXH2 5/20 0.45
TSHR P16473 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL6070725 0.75 ALDH1A1 (0.51) RAB9ANPC1L3MBTL1MAOBALDH1A1
SCHEMBL6070967 0.74 L3MBTL1 (0.48) RAB9ANPC1SMN1; SMN2L3MBTL1MAPT
SCHEMBL6070968 0.73 MAPT (0.46) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13413859 0.71 IDO1 (0.41) L3MBTL1ALDH1A1HPGDTDP1POLB
SCHEMBL3306466 0.70 ALDH1A1 (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL6071234 0.69 HTR1A (0.41) SMN1; SMN2MAPTTP53GAACYP1A2
SCHEMBL27962281 0.68 ALDH1A1 (0.50) SMN1; SMN2L3MBTL1ALDH1A1HPGDMAPT
SCHEMBL10537882 0.67 RAB9A (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1MAOB
SCHEMBL28930124 0.67 RAB9A (0.63) RAB9ANPC1SMN1; SMN2L3MBTL1MAOB
SCHEMBL28491650 0.67 RAB9A (0.47) RAB9ANPC1SMN1; SMN2L3MBTL1MAOB

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-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2006-01-19 US disclosed
US-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof QUEEN'S UNIVERSITY AT KINGSTON (CA) 2003-06-19 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 (2 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-20030114441-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof CA3, GAP43, SLC1A2 RAB9A 2650/4885NPC1 2748/4885SMN1; SMN2 2744/4885
US-20060014752-A1 Heterocyclic anti-epileptogenic agents and methods of use thereof GAP43, GABRE, CA3 RAB9A 1958/4885NPC1 2435/4885SMN1; SMN2 3192/4885

“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.