SCHEMBL5004145

SCHEMBL5004145

O=C(O)COc1ccc2occc2c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN7 P35236 1/20 0.58
MRGPRX4 Q96LA9 1/20 0.58
LMNA P02545 2/20 0.52
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 2/20 0.49
TDP1 Q9NUW8 1/20 0.48
CTNNB1 P35222 1/20 0.47
WNT3A P56704 1/20 0.47
FFAR1 O14842 1/20 0.46
PPARD Q03181 1/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MCL1 Q07820 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
TP53 P04637 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL5004040 0.83 ALDH1A1 (0.53) MRGPRX4TSHRMEN1KMT2AKDM4E
SCHEMBL4076964 0.80 PTPN7 (0.85) PTPN7LMNATSHRMEN1KMT2A
SCHEMBL12284080 0.78 CA12 (0.61) PTPN7LMNAKDM4EALDH1A1HPGD
SCHEMBL4717002 0.78 MRGPRX4 (0.51) MRGPRX4KMT2AALDH1A1CTNNB1WNT3A
SCHEMBL11816571 0.77 MRGPRX4 (0.45) MRGPRX4CTNNB1WNT3A
SCHEMBL27274990 0.77 MRGPRX4 (0.43) PTPN7MRGPRX4LMNAMEN1KMT2A
SCHEMBL28618849 0.76 MRGPRX4 (0.49) MRGPRX4
SCHEMBL3791638 0.76 CA2 (0.51) MRGPRX4KMT2AKDM4EALDH1A1HPGD
SCHEMBL23635068 0.75 KDM4E (0.57) PTPN7LMNATSHRMEN1KMT2A
SCHEMBL5737941 0.75 MRGPRX4 (0.46) MRGPRX4LMNATSHRALDH1A1HPGD

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 3 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-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 PTPN7 662/4885MRGPRX4 4305/4885LMNA 2885/4885

“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.