SCHEMBL3143531

SCHEMBL3143531

CCCCOC.F[B-](F)(F)F.F[B-](F)(F)F.F[B-](F)(F)F.[KH]

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
TSHR P16473 4/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FAAH O00519 1/20 0.33
HPGD P15428 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR3 Q9UBY5 2/20 0.30
LPAR2 Q9HBW0 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
SCHEMBL5552734 0.97 CYP3A4 (0.42) CYP3A4ADRB2ADRB1ADRB3TSHR
SCHEMBL8774 0.85
SCHEMBL9958280 0.82 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL28859283 0.82
Hydrochloric Acid SCHEMBL28000050 0.82
SCHEMBL9614568 0.82
Hexane SCHEMBL8140309 0.82 CYP3A4 (0.48) CYP3A4ADRB2ADRB1ADRB3TSHR
SCHEMBL11574005 0.82
Methoxymethane SCHEMBL22364221 0.82
Fluoride SCHEMBL27419303 0.82

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-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US claimed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US claimed
EP-1867650-B1 HYDROXYMETHYLBORON COMPOUNDS EISAI R&D MAN CO LTD (JP) 2012-06-27 EP disclosed
US-7696347-B2 Oxymethyl boron compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-04-13 US disclosed
US-20080242859-A1 Oxymethyl Boron Compounds EISAI R&D MANAGEMENT CO., LTD (JP) 2008-10-02 US disclosed
EP-1867650-A1 HYDROXYMETHYLBORON COMPOUNDS Eisai R&D Management Co., Ltd. (JP) 2007-12-19 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-20080242859-A1 Oxymethyl Boron Compounds BPGM, DDT, DBN1 CYP3A4 492/4885ADRB2 2415/4885ADRB1 2836/4885

“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.