SCHEMBL9984747

SCHEMBL9984747

COc1cc2cc(Br)[nH]c(=O)c2cc1OC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 10/20 0.51
▸ PDE3A Q14432 10/20 0.51
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ GRIN2D O15399 2/20 0.46
▸ GRIN3B O60391 2/20 0.46
▸ GRIN1 Q05586 2/20 0.46
▸ GRIN2A Q12879 2/20 0.46
▸ GRIN2B Q13224 2/20 0.46
▸ GRIN2C Q14957 2/20 0.46
▸ GRIN3A Q8TCU5 2/20 0.46
▸ MAOA P21397 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ GSK3B P49841 2/20 0.41
▸ TUBB4A P04350 1/20 0.40
▸ TUBB P07437 1/20 0.40

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
SCHEMBL31589365 0.77 KDM4E (0.50) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL14927075 0.76 KDM4E (0.41) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL31375360 0.73 EHMT2 (0.60) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL31611876 0.72 TNKS (0.51) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL12071547 0.69 PDE3B (0.48) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL7440342 0.69 PDE3B (0.73) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL3951034 0.69 ROCK1 (0.46) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL16499568 0.68 PDE10A (0.47) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL9986595 0.68 PDE10A (0.47) PDE3BPDE3AKDM4EALDH1A1HPGD
SCHEMBL8499922 0.68 PDGFRB (0.45) PDE3BPDE3AKDM4EALDH1A1HPGD

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-8933096-B2 Antimicrobial agents Rugers, The State University of New Jersey (US) 2015-01-13 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
US-20130116278-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY 2013-05-09 — — US disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 — — WO disclosed
WO-2011159926-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-22 — — WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — WO disclosed
WO-2011156626-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-12-15 — — 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-20130116278-A1 ANTIMICROBIAL AGENTS MRPL21, ARG1, RPP30 PDE3B 1851/4885PDE3A 1652/4885KDM4E 2572/4885

“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.

Send feedback