SCHEMBL3220280

SCHEMBL3220280

COCc1cc2cc(OC)ccc2nc1Cl.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[NaH]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.51
GFER P55789 1/20 0.51
KDM4E B2RXH2 8/20 0.50
HCAR2 Q8TDS4 1/20 0.43
EGFR P00533 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
POLB P06746 1/20 0.40
GSK3B P49841 1/20 0.40
NCF1 P14598 1/20 0.40
MAPT P10636 4/20 0.40
NPY1R P25929 1/20 0.40
NPY2R P49146 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL12000237 0.80 ALDH1A1 (0.59) ALDH1A1GFERKDM4EHCAR2EGFR
SCHEMBL28827744 0.80 ALDH1A1 (0.77) ALDH1A1GFERKDM4EHCAR2EGFR
SCHEMBL1886013 0.79 KDM4E (0.78) ALDH1A1GFERKDM4EHCAR2EGFR
SCHEMBL16788278 0.75 CYP1A1 (0.52) ALDH1A1GFERKDM4EEGFRSMN1; SMN2
SCHEMBL13227175 0.74 ALDH1A1 (0.52) ALDH1A1GFERKDM4EHCAR2SMN1; SMN2
SCHEMBL27909951 0.73 KDM4E (0.49) ALDH1A1GFERKDM4EEGFRSMN1; SMN2
SCHEMBL1289546 0.73 NCF1 (0.51) ALDH1A1GFERKDM4EEGFRSMN1; SMN2
SCHEMBL1289590 0.71 EGFR (0.52) ALDH1A1GFERKDM4EHCAR2EGFR
SCHEMBL28950013 0.70 GSK3B (0.50) ALDH1A1GFERKDM4EHCAR2EGFR
SCHEMBL1289584 0.70 EGFR (0.45) ALDH1A1GFERKDM4EEGFRSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273885-B2 Fluoroboron compound having aromatic ring or salt thereof, and method for producing compound having cyclic ether-fused aromatic ring using the same EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-09-25 US disclosed
US-20100056788-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND METHOD FOR PRODUCING COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING USING THE SAME EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-04 US disclosed
EP-2062901-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND PROCESS FOR PRODUCTION OF COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING BY USING THE SAME Eisai R&D Management Co., Ltd. (JP) 2009-05-27 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-20100056788-A1 FLUOROBORON COMPOUND HAVING AROMATIC RING OR SALT THEREOF, AND METHOD FOR PRODUCING COMPOUND HAVING CYCLIC ETHER-FUSED AROMATIC RING USING THE SAME FLI1, AFF1, MLLT3 ALDH1A1 2353/4885GFER 2075/4885KDM4E 249/4885

“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.