SCHEMBL5000233

SCHEMBL5000233

COC(=O)COc1ccc(Cl)c2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
TSHR P16473 3/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 1/20 0.55
CGAS Q8N884 1/20 0.54
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 4/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
PKM P14618 1/20 0.49
ESRRA P11474 4/20 0.48
NPSR1 Q6W5P4 1/20 0.47
MAPT P10636 2/20 0.47
HTT P42858 2/20 0.46
GAA P10253 1/20 0.45
PTGDR Q13258 1/20 0.45
PTGDR2 Q9Y5Y4 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL10898603 0.83 IDO1 (0.54) LMNANPC1KMT2AKDM4EMEN1
SCHEMBL10745691 0.82 TDP1 (0.60) LMNATSHRNPC1RAB9ACGAS
SCHEMBL1153422 0.81 PKM (0.74) LMNATSHRNPC1RAB9ACGAS
SCHEMBL3987954 0.81 LMNA (0.52) LMNATSHRNPC1RAB9AKMT2A
SCHEMBL29452815 0.81 PKM (0.74) LMNATSHRNPC1RAB9ACGAS
SCHEMBL593004 0.81 IDO1 (0.54) LMNANPC1KMT2AKDM4EMEN1
SCHEMBL6621309 0.81 KDM4E (0.50) LMNANPC1KMT2AKDM4EMEN1
SCHEMBL15545075 0.81 CGAS (0.53) LMNATSHRNPC1RAB9ACGAS
SCHEMBL5000478 0.80 LMNA (0.62) LMNATSHRRAB9AKMT2AKDM4E
SCHEMBL8634758 0.80 CNR2 (0.51) LMNANPC1KMT2AKDM4EMEN1

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 LMNA 2885/4885TSHR 3839/4885NPC1 1192/4885

“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.