SCHEMBL694185

SCHEMBL694185

F[B-](F)(F)F.N#[N+]c1ccc(O)c(Br)c1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.43
ALOX12 P18054 1/20 0.33
ESR1 P03372 1/20 0.31
HSD17B3 P37058 1/20 0.31
CES2 O00748 1/20 0.31
GALR3 O60755 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
CASP1 P29466 1/20 0.31
CYP2C19 P33261 1/20 0.31
DBH P09172 1/20 0.30
PRMT1 Q99873 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
SCHEMBL14733276 0.92 ALOX15 (0.50) ALOX15ALOX12ESR1HSD17B3CES2
SCHEMBL28681881 0.77 ABL1 (0.33)
SCHEMBL14609269 0.72 APP (0.43) ALOX15HPGD
SCHEMBL3438830 0.71 ALOX15 (0.50) ALOX15ALOX12ESR1HSD17B3CES2
SCHEMBL5380526 0.71
SCHEMBL5370217 0.71
SCHEMBL695248 0.70 MAPT (0.53) ALOX15HPGDCYP2C19DBH
SCHEMBL4219698 0.70 ALDH1A1 (0.50) CYP2C9HPGD
SCHEMBL694368 0.70 CA3 (0.40) ALOX15ESR1HPGDCASP1
SCHEMBL236958 0.70 CYP2A6 (0.40) ALOX15

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-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2013-02-28 US disclosed
EP-2421822-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2012-02-29 EP disclosed
WO-2010122105-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT ZYLUM BETEILIGUNGSGESELLSCHAFT MBH & CO. PATENTE II KG (DE) 2010-10-28 WO disclosed
EP-2243768-A1 Phenolic diazonium salt, method for its production and its application Zylum Beteiligungsgesellschaft mbH & Co. Patente II KG (DE) 2010-10-27 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-20130053598-A1 METHOD FOR PRODUCING A CROSS-COUPLING PRODUCT OF A BENZENOID DIAZONIUM SALT CBR3, CBR1, NOX3 ALOX15 3884/4885ALOX12 3220/4885ESR1 2870/4885

“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.