SCHEMBL7525880

SCHEMBL7525880

CCCCCC1=N/C(=C/c2[nH]c(-c3ccc[nH]3)cc2OCc2ccccc2)C=C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.32
TLR4 O00206 1/20 0.30
TLR3 O15455 1/20 0.30
TLR5 O60602 1/20 0.30
TLR2 O60603 1/20 0.30
CAMK2B Q13554 1/20 0.30
CAMK2G Q13555 1/20 0.30
CAMK2D Q13557 1/20 0.30
CAMK1 Q14012 1/20 0.30
CAMK4 Q16566 1/20 0.30
PNCK Q6P2M8 1/20 0.30
CAMK1D Q8IU85 1/20 0.30
CAMK1G Q96NX5 1/20 0.30
TLR9 Q9NR96 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30
EZH2 Q15910 1/20 0.30

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
SCHEMBL7525881 1.00 BCHE (0.32) BCHETLR4TLR3TLR5TLR2
SCHEMBL12632563 0.99 BCHE (0.33) BCHEEZH2
SCHEMBL7514355 0.99 BCHE (0.33) BCHEEZH2
SCHEMBL1389062 0.99 BCHE (0.33) BCHEEZH2
SCHEMBL1388984 0.99 BCHE (0.33) BCHEEZH2
SCHEMBL1717405 0.99 BCHE (0.33) BCHEEZH2
Hydrochloric Acid SCHEMBL7513262 0.98 BCHE (0.33) BCHETLR4TLR3TLR5TLR2
Hydrochloric Acid SCHEMBL7513256 0.98 BCHE (0.33) BCHETLR4TLR3TLR5TLR2
SCHEMBL7526409 0.97 PTGER1 (0.31)
SCHEMBL7526413 0.97 PTGER1 (0.31)

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
EP-0975592-B1 BENZYLOXY PRODIGIOSINE COMPOUNDS PHARMACIA & UPJOHN SPA (IT) 2002-06-05 EP claimed
US-20020049248-A1 Alone or in combination for treatment of adult-T-cell leukemia- lymphoma PHARMACIA & UPJOHN, SPA (IT) 2002-04-25 US claimed
US-6369096-B1 IMMUNOMODULATING AGENT, IMMUNOSUPPRESSANT PHARMACIA & UPJOHN S.P.A. (IT) 2002-04-09 US claimed
EP-0975592-B1 BENZYLOXY PRODIGIOSINE COMPOUNDS PHARMACIA & UPJOHN SPA (IT) 2002-06-05 EP disclosed
US-20020049248-A1 Alone or in combination for treatment of adult-T-cell leukemia- lymphoma PHARMACIA & UPJOHN, SPA (IT) 2002-04-25 US disclosed
US-6369096-B1 IMMUNOMODULATING AGENT, IMMUNOSUPPRESSANT PHARMACIA & UPJOHN S.P.A. (IT) 2002-04-09 US 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-20020049248-A1 Alone or in combination for treatment of adult-T-cell leukemia- lymphoma MALT1, BCL6, CD4 BCHE 4680/4885TLR4 1988/4885TLR3 1525/4885

“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.