SCHEMBL3786215

SCHEMBL3786215

CC(=O)Oc1c(N)cccc1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 4/20 0.57
ALDH1A1 P00352 2/20 0.47
HSD17B10 Q99714 2/20 0.47
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 2/20 0.44
ADORA1 P30542 2/20 0.44
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 2/20 0.41
BCAT2 O15382 1/20 0.41
PKM P14618 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
NPC1 O15118 2/20 0.40
POLB P06746 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
SCHEMBL3785789 0.89 BACE1 (0.44) BACE1ALDH1A1HSD17B10ADORA3ADORA2A
SCHEMBL3785086 0.86 ALDH1A1 (0.46) BACE1ALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL3789558 0.86 BACE1 (0.45) BACE1ALDH1A1KDM4EMAPT
SCHEMBL7385921 0.83 ALDH1A1 (0.43) BACE1ALDH1A1HSD17B10KDM4EMAPK1
SCHEMBL27999560 0.81 BACE1 (0.58) BACE1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL8676657 0.81 MAPK1 (0.60) BACE1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL28033283 0.80 BACE1 (0.57) BACE1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL1358288 0.80 KDM4E (0.63) BACE1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL3786597 0.80 ALDH1A1 (0.43) BACE1ALDH1A1HSD17B10PDE4APDE4B
SCHEMBL10596845 0.79 MAPK1 (0.57) BACE1ALDH1A1HSD17B10PDE4APDE4B

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 BACE1 925/4885ALDH1A1 4339/4885HSD17B10 1100/4885

“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.