SCHEMBL3608296

SCHEMBL3608296

[CH2]c1cccc(-c2ccc3c(c2)OCO3)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.50
PTPRC P08575 1/20 0.49
GABRA1 P14867 1/20 0.48
GABRB2 P47870 1/20 0.48
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 3/20 0.47
POLB P06746 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 3/20 0.47
LMNA P02545 2/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46

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
SCHEMBL29629010 0.86 PTGS2 (0.58) PTGS2PTPRCGABRA1GABRB2NPC1
SCHEMBL2692579 0.86 CA12 (0.59) PTGS2PTPRCGABRA1GABRB2NPC1
SCHEMBL6291802 0.82 CA12 (0.56) PTGS2PTPRCGABRA1GABRB2NPC1
SCHEMBL404584 0.80 PTGS2 (0.66) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL30009937 0.80 PTGS2 (0.66) PTGS2PTPRCNPC1RAB9ASMN1; SMN2
SCHEMBL962955 0.78 PTPRC (0.54) PTGS2PTPRCGABRA1GABRB2NPC1
SCHEMBL30469371 0.78 CYP19A1 (0.58) PTGS2PTPRCGABRA1GABRB2NPC1
SCHEMBL13376227 0.78 GAA (0.67) PTGS2PTPRCGABRA1GABRB2NPC1
SCHEMBL980270 0.78 CYP19A1 (0.58) PTGS2PTPRCGABRA1GABRB2NPC1
SCHEMBL22162812 0.78 CA12 (0.58) PTGS2PTPRCNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same BIOGEN IDEC MA INC. (US) 2010-04-29 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-20100105714-A1 Furanone Compounds and Methods of Making and Using The Same ALK, ACVR1, ACVR1B PTGS2 962/4885PTPRC 3111/4885GABRA1 3530/4885

“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.