SCHEMBL3033868

SCHEMBL3033868

CC(C)(C)OC(=O)n1c(C(=O)O)cc2cc(OCC[C@H]3COC(C)(C)O3)ccc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.38
▸ MAPK14 Q16539 2/20 0.36
▸ SRD5A2 P31213 1/20 0.36
▸ GPR119 Q8TDV5 8/20 0.35
▸ MAOA P21397 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32

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
SCHEMBL3023814 0.90 MAOA (0.42) NR1H2MAPK14GPR119MAOAHPGD
SCHEMBL13560588 0.89 MAPK14 (0.35) MAPK14SRD5A2MAOAKDM4EALDH1A1
SCHEMBL13560585 0.82 MAOA (0.36) MAPK14MAOA
SCHEMBL13560586 0.80 MAPK14 (0.35) MAPK14SRD5A2MAOATMEM97SIGMAR1
SCHEMBL3023372 0.72 KDM4E (0.49) MAPK14SRD5A2MAOAKDM4EALDH1A1
SCHEMBL3995157 0.68 NR1H2 (0.42) NR1H2KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL6514090 0.68 MAOA (0.47) NR1H2MAOAHPGDHSD17B10
SCHEMBL6520445 0.68 NR1H2 (0.45) NR1H2SRD5A2MAOAKDM4EALDH1A1
SCHEMBL10762275 0.68 PLA2G4B (0.43) MAPK14ALDH1A1TMEM97SIGMAR1
SCHEMBL10762271 0.68 PLA2G4B (0.43) MAPK14ALDH1A1TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 — — US disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 — — 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 NR1H2 1873/4885MAPK14 3907/4885SRD5A2 672/4885

“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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