SCHEMBL4882871

SCHEMBL4882871

CCOc1cc(F)cc(F)c1B(c1c(F)cc(F)cc1OCC)c1c(F)cc(F)cc1OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.37
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM1A O60341 2/20 0.35
HTT P42858 2/20 0.34
LMNA P02545 2/20 0.33
TUBB1 Q9H4B7 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 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
SCHEMBL12300322 0.78 L3MBTL1 (0.40) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL30464887 0.78 LMNA (0.32) CYP1A2CYP2C19TDP1KDM1AHTT
SCHEMBL4882783 0.78 LMNA (0.32) CYP1A2CYP2C19TDP1KDM1AHTT
SCHEMBL18306468 0.76 L3MBTL1 (0.39) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL28034032 0.74 L3MBTL1 (0.38) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL4889433 0.74 NQO1 (0.42) L3MBTL1TDP1MEN1MAPTKMT2A
SCHEMBL4884975 0.73 HTT (0.37) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL690271 0.71 ERN1 (0.37) TDP1ALDH1A1MEN1MAPTKMT2A
SCHEMBL4885889 0.71 L3MBTL1 (0.42) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1
SCHEMBL4538571 0.70 LMNA (0.46) L3MBTL1CYP1A2CYP2D6CYP2C19TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817318-B1 STABILIZING METHOD AND STABILIZED COMPOSITION FOR ARYL BORON COMPOUNDS NIPPON CATALYTIC CHEM IND (JP) 2013-08-28 EP disclosed
US-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds NIPPON SHOKUBAI CO., LTD. (JP) 2008-06-26 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-20080154065-A1 Stabilizing Method and Stabilized Composition for Aryl Boron Compounds AR, AHR, BCL6 L3MBTL1 2660/4885CYP1A2 909/4885CYP2D6 1924/4885

“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.