SCHEMBL3873979

SCHEMBL3873979

c1c2c(cc3c1c1cc4c(cc1c1cc5c(cc31)NCCN5)NCCN4)NCCN2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32

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
SCHEMBL5758073 0.73 KDM4E (0.39) KDM4EMEN1NPC1GAAMAPT
SCHEMBL27934868 0.73 KDM4E (0.39) KDM4EMEN1NPC1GAAMAPT
SCHEMBL8090871 0.66 MAPT (0.48) KDM4EMEN1NPC1GAAMAPT
SCHEMBL8089058 0.66 KDM4E (0.48) KDM4EMEN1NPC1GAAMAPT
SCHEMBL27291567 0.66 KDM4E (0.48) KDM4EMEN1NPC1GAAMAPT
SCHEMBL6305681 0.66 KDM4E (0.34) KDM4EMEN1NPC1GAAMAPT
SCHEMBL28517500 0.66 MAPT (0.48) KDM4EMEN1NPC1GAAMAPT
SCHEMBL29408147 0.64 GAA (0.54) KDM4EMEN1NPC1GAAMAPT
SCHEMBL29144954 0.64 GAA (0.54) KDM4EMEN1NPC1GAAMAPT
SCHEMBL17758261 0.62 GAA (0.52) KDM4EMEN1NPC1GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7585928-B2 monomers of acetylenic homo- or copolymers; cured polymers has low dielectric constant as insulating layers in microelectronic devices DOW GLOBAL TECHNOLOGIES (US) 2009-09-08 US disclosed
US-20070027278-A1 Multifunctional monomers containing bound mesogenic poragen forming moieties and polyarylene compositions therefrom DOW GLOBAL TECHNOLOGIES LLC 2007-02-01 US disclosed
WO-2005042613-A1 MULTIFUNCTIONAL MONOMERS CONTAINING BOUND MESOGENIC PORAGEN FORMING MOIETIES AND POLYARYLENE COMPOSITIONS THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2005-05-12 WO disclosed
US-5637669-A THERMOSETTING RESIN; LIQUID CRYSTALLINE POLYMERS THE DOW CHEMICAL COMPANY (US) 1997-06-10 US disclosed
EP-0670856-A1 THERMOSETTABLE COMPOSITION CONTAINING MESOGENIC MOIETIES THE DOW CHEMICAL COMPANY (US) 1995-09-13 EP disclosed
WO-1994012556-A2 THERMOSETTABLE COMPOSITION CONTAINING DISCOTIC MESOGENIC MOIETIES THE DOW CHEMICAL COMPANY (US) 1994-06-09 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-20070027278-A1 Multifunctional monomers containing bound mesogenic poragen forming moieties and polyarylene compositions therefrom LRBA, CD74, BMP2 KDM4E 4789/4885MEN1 443/4885NPC1 4319/4885

“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.