SCHEMBL3360427

SCHEMBL3360427

O=P(O)(O)c1ccc(-c2ccccc2)c(-c2ccccc2)c1P(=O)(O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA5A P35218 1/20 0.38
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
GPR84 Q9NQS5 1/20 0.36
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
ACP3 P15309 2/20 0.34
BACE1 P56817 1/20 0.33
ALOX5 P09917 1/20 0.33
PTPN5 P54829 1/20 0.33
ALPG P10696 1/20 0.33
PTK2B Q14289 1/20 0.33
HNF4A P41235 1/20 0.33

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
SCHEMBL780805 0.81 KDM4E (0.39) KDM4EPOLBCA2CA4CA5A
SCHEMBL29771463 0.81 ESR2 (0.41) CA2CA4CA5AHDAC4HDAC2
SCHEMBL28178821 0.81 POLB (0.39) KDM4EPOLBCA2CA4CA5A
SCHEMBL28677769 0.79 GPR84 (0.42) KDM4EPOLBCA2CA4CA5A
Phosphoric Acid SCHEMBL27982532 0.78 HDAC4 (0.45) CA2CA4CA5AHDAC4HDAC2
SCHEMBL27742231 0.78 SRC (0.37) KDM4EPOLBCA2CA4CA5A
SCHEMBL30341028 0.78 HNF4A (0.43) KDM4EPOLBCA2CA4CA5A
SCHEMBL30804419 0.78 POLB (0.42) KDM4EPOLBCA2CA4CA5A
SCHEMBL7642421 0.78 CA2 (0.35) KDM4EPOLBCA2CA4CA5A
SCHEMBL4956839 0.78 POLB (0.42) KDM4EPOLBCA2CA4CA5A

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-7687482-B2 Bisphosphonate compounds and methods THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-03-30 US disclosed
EP-2001486-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2008-12-17 EP disclosed
US-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-11-29 US disclosed
WO-2007109585-A2 BISPHOSPHONATE COMPOUNDS AND METHODS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2007-09-27 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-20070275931-A1 BISPHOSPHONATE COMPOUNDS AND METHODS FDPS, GGPS1, FNTB KDM4E 2191/4885POLB 2269/4885CA2 679/4885

“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.