SCHEMBL13238265

SCHEMBL13238265

COc1ccc(Cn2ccc3cccc(O)c32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER4 P35408 1/20 0.47
▸ PTGER2 P43116 1/20 0.47
▸ PTGER3 P43115 1/20 0.47
▸ MAPT P10636 4/20 0.47
▸ TP53 P04637 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC6 Q9UBN7 4/20 0.46
▸ HDAC11 Q96DB2 2/20 0.46
▸ HDAC3 O15379 3/20 0.45
▸ HDAC1 Q13547 3/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC10 Q969S8 3/20 0.45
▸ HDAC4 P56524 1/20 0.45
▸ HDAC7 Q8WUI4 1/20 0.45
▸ HDAC9 Q9UKV0 1/20 0.45
▸ HDAC5 Q9UQL6 1/20 0.45
▸ NCOR2 Q9Y618 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL1038610 0.84 HDAC8 (0.51) MAPTTP53KDM4ELMNAHDAC8
SCHEMBL10019341 0.83 MAPT (0.47) PTGER4PTGER2PTGER3MAPTTP53
SCHEMBL13238270 0.82 APP (0.56) PTGER3TP53KDM4ELMNAHDAC8
SCHEMBL1271088 0.81 PTGER4 (0.54) PTGER4PTGER2PTGER3MAPTTP53
SCHEMBL13238268 0.81 ALDH1A1 (0.38) PTGER4PTGER2PTGER3TP53LMNA
SCHEMBL30914586 0.77 HTR6 (0.66) KDM4ELMNAHDAC8HDAC6HDAC11
SCHEMBL6086778 0.77 HTR6 (0.66) KDM4ELMNAHDAC8HDAC6HDAC11
SCHEMBL10019302 0.77 KDM4E (0.47) PTGER4PTGER2PTGER3MAPTTP53
SCHEMBL15687349 0.74 HDAC8 (0.46) PTGER4PTGER2PTGER3MAPTTP53
SCHEMBL7712247 0.74 PTGER3 (0.61) PTGER4PTGER2PTGER3MAPTHDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749972-B2 1-substituted-7-(β-D-glycopyranosyloxy)(aza)indole compound and pharmaceutical containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 — — US disclosed
US-7749972-B2 1-substituted-7-(β-D-glycopyranosyloxy)(aza)indole compound and pharmaceutical containing the same KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-07-06 — — US disclosed
US-20090054356-A1 1-SUBSTITUTED-7-(B-D-GLYCOPYRANOSYLOXY)(AZA)INDOLE COMPOUND AND PHARMACEUTICAL CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-02-26 — — US disclosed
US-20090054356-A1 1-SUBSTITUTED-7-(B-D-GLYCOPYRANOSYLOXY)(AZA)INDOLE COMPOUND AND PHARMACEUTICAL CONTAINING THE SAME KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-02-26 — — 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-20090054356-A1 1-SUBSTITUTED-7-(B-D-GLYCOPYRANOSYLOXY)(AZA)INDOLE COMPOUND AND PHARMACEUTICAL CONTAINING THE SAME SLC5A1, SLC5A2, GPR119 PTGER4 3602/4885PTGER2 4071/4885PTGER3 3652/4885

“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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