SCHEMBL5004040

SCHEMBL5004040

COC(=O)COc1ccc2occc2c1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 2/20 0.53
HSD17B10 Q99714 2/20 0.53
MRGPRX4 Q96LA9 1/20 0.51
MAPT P10636 1/20 0.50
PTGS2 P35354 2/20 0.47
POLB P06746 1/20 0.46
HPGD P15428 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA2 P00918 2/20 0.44
RAB9A P51151 1/20 0.43
CA12 O43570 1/20 0.43

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
SCHEMBL5004145 0.83 PTPN7 (0.58) ALDH1A1KDM4EHSD17B10MRGPRX4HPGD
SCHEMBL9828803 0.77 HTR1B (0.49) ALDH1A1KDM4EHSD17B10MRGPRX4HPGD
SCHEMBL17541419 0.76 MRGPRX4 (0.47) MRGPRX4CA2CA12
SCHEMBL30360394 0.76 PTPN7 (0.67) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL2474817 0.76 PTPN7 (0.67) ALDH1A1POLBHPGDSMN1; SMN2MEN1
SCHEMBL3791638 0.76 CA2 (0.51) ALDH1A1KDM4EMRGPRX4HPGDKMT2A
SCHEMBL29875194 0.76 HTR1B (0.50) ALDH1A1KDM4EMRGPRX4MAPTHPGD
SCHEMBL7442715 0.76 HTR1B (0.50) ALDH1A1KDM4EMRGPRX4MAPTHPGD
SCHEMBL23832436 0.75 RAPGEF3 (0.58) PTGS2POLBHPGDMEN1KMT2A
SCHEMBL8477886 0.75 HCAR2 (0.53) ALDH1A1KDM4EHSD17B10PTGS2POLB

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 5 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
EP-0621273-B1 NOVEL SULFONIC ACIDE DERIVATIVE AND MEDICINAL USE THEREOF TORAY INDUSTRIES (JP) 1998-12-09 EP 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 ALDH1A1 4411/4885KDM4E 3055/4885HSD17B10 2386/4885

“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.