SCHEMBL6208212

SCHEMBL6208212

COc1ccc(C(=O)C(OC(=O)C2CC2)c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.53
POLB P06746 3/20 0.53
NPC1 O15118 3/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALDH1A1 P00352 2/20 0.51
NPSR1 Q6W5P4 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
MAOB P27338 2/20 0.48
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
EGFR P00533 2/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MRGPRX4 Q96LA9 1/20 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
SCHEMBL6207176 0.88 MEN1 (0.49) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3108038 0.84 CHRM2 (0.54) RAB9APOLBNPC1MAPTMEN1
SCHEMBL27763127 0.81 CHRM2 (0.51) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3104965 0.81 NPSR1 (0.52) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3097183 0.81 NPSR1 (0.52) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3088679 0.80 CHRM2 (0.51) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3105621 0.80 YAP1 (0.45) RAB9APOLBNPC1MAPTMEN1
SCHEMBL13158602 0.80 YAP1 (0.45) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3105503 0.80 CHRM2 (0.50) RAB9APOLBNPC1MAPTMEN1
SCHEMBL3096371 0.79 RAB9A (0.47) RAB9APOLBNPC1MAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583749-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE Astellas Pharma Inc. (JP) 2005-10-12 EP disclosed
US-20040157891-A1 Inhibitor of cox FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-08-12 US disclosed
WO-2004065374-A1 OXAZOLE DERIVATIVES AS INHIBITORS OF CYCLOOXYGENASE ASTELLAS PHARMA INC. (JP) 2004-08-05 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 (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-20040157891-A1 Inhibitor of cox PTGS1, PTGS2, PTGES2 RAB9A 4006/4885POLB 2793/4885NPC1 1686/4885

“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.