SCHEMBL1302187

SCHEMBL1302187

CCOC(=O)c1ccc(OC)c(OCc2ccc(OC)cc2)c1Br

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
RAB9A P51151 1/20 0.42
FFAR1 O14842 2/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TNFRSF1A P19438 1/20 0.42
KMT2A Q03164 2/20 0.41
HDAC8 Q9BY41 1/20 0.41
APP P05067 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL8307730 0.89 MAOB (0.47) MAOBMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL9356233 0.84 MAOB (0.48) MAOBMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL8310362 0.79 DPP4 (0.42) MAPTGAAALDH1A1SMN1; SMN2LMNA
SCHEMBL1301262 0.79 MAPT (0.49) MAOBMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL24538654 0.78 APP (0.45) MAOBSMN1; SMN2NPC1POLBRAB9A
SCHEMBL12109050 0.76 MAOB (0.48) MAOBMAPTGAAALDH1A1SMN1; SMN2
SCHEMBL14699992 0.76 POLB (0.47) MAPTGAAALDH1A1SMN1; SMN2NPC1
SCHEMBL21828876 0.75 SMN1; SMN2 (0.50) MAPTGAAALDH1A1SMN1; SMN2TDP1
SCHEMBL9732613 0.75 MAOB (0.58) MAOBMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL27828998 0.75 CTSV (0.51) MAPTALDH1A1SMN1; SMN2NPC1POLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES, INC. (US) 2011-11-03 US disclosed
US-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE AARDEA BIOSCIENCES, INC. (US) 2011-07-07 US disclosed
EP-2231665-A2 NOVEL COMPOSITIONS AND METHODS OF USE Ardea Biosciences, Inc. (US) 2010-09-29 EP disclosed
WO-2009089263-A2 NOVEL COMPOSITIONS AND METHODS OF USE ARDEA BIOSCIENCES INC. (US) 2009-07-16 WO 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-20110166123-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP MAOB 858/4885MAPT 3259/4885GAA 176/4885
US-20110269741-A1 NOVEL COMPOSITIONS AND METHODS OF USE TYMP, SAMHD1, PNP MAOB 858/4885MAPT 3259/4885GAA 176/4885

“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.