SCHEMBL6767402

SCHEMBL6767402

COc1ccc(-c2cc(C(C)CC=O)on2)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
GAA P10253 1/20 0.47
PDE4A P27815 2/20 0.42
PDE4B Q07343 2/20 0.42
PDE4C Q08493 2/20 0.42
PDE4D Q08499 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 2/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
TSHR P16473 1/20 0.40
RAB9A P51151 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL6767117 0.79 MAPT (0.43) MAPTTP53SMN1; SMN2LMNAPOLB
SCHEMBL6769000 0.79 CYP1A1 (0.42) MAPTTP53SMN1; SMN2HTTNPC1
SCHEMBL6769163 0.78 RAB9A (0.46) MAPTTP53SMN1; SMN2LMNANPC1
SCHEMBL6767404 0.77 TP53 (0.43) MAPTTP53SMN1; SMN2POLBNPC1
SCHEMBL6773846 0.75 DRD2 (0.51) MAPTGAAPDE4APDE4BPDE4C
SCHEMBL6774258 0.74 SMN1; SMN2 (0.40) MAPTTP53SMN1; SMN2NPC1KDM4E
SCHEMBL6769256 0.72 ALDH1A1 (0.47) MAPTSMN1; SMN2NPC1MAPK1KMT2A
SCHEMBL30668614 0.71 MAPT (0.60) MAPTGAAPDE4APDE4BPDE4C
SCHEMBL7873221 0.71 ACHE (0.50) MAPTGAATP53SMN1; SMN2LMNA
SCHEMBL16508321 0.71 PTGS2 (0.63) MAPTPDE4ASMN1; SMN2HTTNPC1

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-6723724-B2 PSYCHOLOGICAL DISORDERS KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2004-04-20 US disclosed
US-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2002-08-29 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-20020119983-A1 Novel isoxazolylalkylpiperazine derivatives having selective biological activity at dopamine D3 or D4 receptor, and preparation thereof DRD4, DRD3, DRD2 MAPT 4807/4885GAA 3897/4885PDE4A 151/4885

“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.