SCHEMBL1415732

SCHEMBL1415732

O=C(O)c1cc(-c2ccc3c(c2)OCCO3)n[nH]1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 10/20 1.00
▸ KDM4E B2RXH2 1/20 1.00
▸ MAPT P10636 4/20 0.67
▸ NPC1 O15118 3/20 0.67
▸ RAB9A P51151 3/20 0.67
▸ CA12 O43570 5/20 0.57
▸ CA9 Q16790 3/20 0.57
▸ TP53 P04637 2/20 0.56
▸ RPA1 P27694 1/20 0.56
▸ MEN1 O00255 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ ALOX12 P18054 2/20 0.54
▸ NFKB1 P19838 2/20 0.54
▸ NFKB2 Q00653 2/20 0.54
▸ RELA Q04206 2/20 0.54
▸ SMN1; SMN2 Q16637 2/20 0.54
▸ USP2 O75604 1/20 0.54
▸ ALOX15 P16050 1/20 0.54
▸ NR0B1 P51843 1/20 0.54

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
SCHEMBL13539277 0.87 KDM4E (0.78) ALPLKDM4EMAPTNPC1RAB9A
SCHEMBL13541923 0.83 ALPL (0.70) ALPLKDM4EMAPTNPC1RAB9A
SCHEMBL1416809 0.81 MAPT (1.00) ALPLKDM4EMAPTNPC1RAB9A
SCHEMBL13971739 0.77 MAPT (0.62) ALPLKDM4EMAPTNPC1RAB9A
SCHEMBL14138506 0.77 KDM4E (0.62) ALPLKDM4EMAPTNPC1RAB9A
SCHEMBL3448087 0.74 KDM4E (0.59) ALPLKDM4EMAPTNPC1RAB9A
SCHEMBL1414100 0.73 ALPL (1.00) ALPLKDM4ECA12CA9TP53
SCHEMBL23294484 0.73 KDM4E (0.58) ALPLKDM4EMAPTNPC1RAB9A
SCHEMBL19624841 0.73 ALPL (0.60) ALPLKDM4ECA12CA9TP53
SCHEMBL726574 0.73 TP53 (1.00) ALPLCA12CA9TP53RPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2291372-A2 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF Burnham Institute for Medical Research (US) 2011-03-09 — — EP disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 — — US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 — — US disclosed
US-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2010-01-21 — — US disclosed
WO-2009143150-A2 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF BURNHAM INSTITUTE FOR MEDICAL RESEARCH (US) 2009-11-26 — — WO disclosed
US-20040082079-A1 Low affinity screening method GRAFFINITY PHARMACEUTICALS AG. (DE) 2004-04-29 — — US disclosed
EP-1360489-A1 LOW AFFINITY SCREENING METHOD Graffinity Pharmaceuticals Aktiengesellschaft (DE) 2003-11-12 — — EP disclosed
WO-2002063299-A1 LOW AFFINITY SCREENING METHOD GRAFFINITY PHARMACEUTICALS AG (DE) 2002-08-15 — — 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-20100016313-A1 INTESTINAL ALKALINE PHOSPHATASE MODULATORS AND USES THEREOF ALPI, SI, FABP2 ALPL 5/4885KDM4E 2989/4885MAPT 4675/4885

“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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