SCHEMBL4921404

SCHEMBL4921404

COC1=CC(=O)N(Cc2ccc(OC)cc2)C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 3/20 0.53
▸ GSK3B P49841 3/20 0.53
▸ CMA1 P23946 1/20 0.51
▸ GAA P10253 1/20 0.51
▸ GRM2 Q14416 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MMP1 P03956 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ ELANE P08246 1/20 0.43

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
SCHEMBL31190634 0.86 ELANE (0.48) GSK3AGSK3BCMA1ALDH1A1MAPT
SCHEMBL4921010 0.79 HSD17B10 (0.44) ALDH1A1MAPTKDM4E
SCHEMBL17360667 0.78 CMA1 (0.59) GSK3AGSK3BCMA1GAAGRM2
SCHEMBL2661493 0.76 CMA1 (0.52) CMA1GAAALDH1A1MEN1KMT2A
SCHEMBL2657547 0.74 CA1 (0.35) ALDH1A1MAPTPOLB
SCHEMBL7260345 0.74 GSK3A (0.60) GSK3AGSK3BCMA1GAAGRM2
SCHEMBL6101068 0.73 GAA (0.73) GSK3AGSK3BCMA1GAAGRM2
SCHEMBL3659094 0.73 CMA1 (0.53) GSK3AGSK3BCMA1GAAGRM2
SCHEMBL28946779 0.73 ALDH1A1 (0.52) GSK3AGSK3BCMA1GAAGRM2
SCHEMBL11432095 0.72 GAA (0.68) GSK3AGSK3BCMA1GAAGRM2

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-20080318943-A1 Compounds and Uses Thereof - 848 ASTRAZENECA AB (SE) 2008-12-25 — — 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-20080318943-A1 Compounds and Uses Thereof - 848 COMT, BACE1, BDNF GSK3A 82/4885GSK3B 61/4885CMA1 2821/4885

“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.

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