SCHEMBL5007271

SCHEMBL5007271

COC(=O)COC1=COC(Cc2ccccc2)O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
MAPT P10636 2/20 0.37
HTT P42858 2/20 0.37
NPC1 O15118 1/20 0.37
CA12 O43570 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL5279461 0.86 ALOX15 (0.42) KDM4EMAPTMEN1KMT2AALDH1A1
SCHEMBL2926028 0.77 HDAC3 (0.41) MAPTHTTALDH1A1SMN1; SMN2
SCHEMBL3712470 0.75 TSHR (0.40) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL74038 0.73
Hydrochloric Acid SCHEMBL5009250 0.73 SPHK2 (0.37) KDM4EHTTMEN1KMT2ASMN1; SMN2
SCHEMBL5383390 0.71 PPARG (0.61)
SCHEMBL3524878 0.71 SLC6A2 (0.32)
SCHEMBL5204619 0.71 L3MBTL1 (0.49) KDM4EMAPTNPC1MEN1KMT2A
SCHEMBL7593855 0.70 MAPT (0.40) MAPTMEN1KMT2A
SCHEMBL230546 0.69 CTRB1 (0.36)

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-7414063-B2 Inhibitors of Akt (protein kinase B) ELI LILLY AND COMPANY (US) 2008-08-19 US disclosed
US-20070043040-A1 Inhibitors of akt (protein kinase b) ELI LILLY AND COMPANY 2007-02-22 US disclosed
EP-1611105-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2006-01-04 EP disclosed
WO-2004094386-A1 ISOQUINOLINE-5-SULFONIC ACID AMIDES AS INHIBITORS OF AKT (PROTEIN KINASE B) ELI LILLY AND COMPANY (US) 2004-11-04 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-20070043040-A1 Inhibitors of akt (protein kinase b) AKT1, AKT2, BRAF KDM4E 3055/4885MAPT 3017/4885HTT 4309/4885

“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.