SCHEMBL6885683

SCHEMBL6885683

O=C1c2cccc3c(Br)ccc(c23)C(=O)N1CCCCCOC1CCCCO1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 15/20 0.54
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
NPC1 O15118 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
PABPC1 P11940 1/20 0.51
KMT2A Q03164 1/20 0.51
HDAC3 O15379 2/20 0.46
HDAC1 Q13547 2/20 0.46
HDAC2 Q92769 2/20 0.46
HDAC11 Q96DB2 2/20 0.46
HDAC8 Q9BY41 2/20 0.46
HDAC6 Q9UBN7 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46

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
SCHEMBL6889202 0.88 ALDH1A1 (0.49) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL21069711 0.81 HPGD (0.46) ALDH1A1MEN1LMNAMAPTKMT2A
SCHEMBL31419834 0.77 CYP1A2 (0.53) ALDH1A1KDM4EMEN1LMNAMAPT
SCHEMBL21988116 0.74 POLB (0.70) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL6885843 0.74 CYP1B1 (0.69) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL23295234 0.74 POLB (0.70) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL28412907 0.74 POLB (0.70) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL21988126 0.74 POLB (0.70) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL23295238 0.74 POLB (0.70) CYP1B1ALDH1A1POLBKDM4EMEN1
SCHEMBL31146710 0.74 POLB (0.70) CYP1B1ALDH1A1POLBKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6682938-B1 USING COMPOUND HAVING SUBSTRATE-RECOGNITION COMPONENT, FLUORESCENCE ?SWITCH? MEDIATED BY SUBSTRATE RECOGNITION EVENT, AND FLUOROPHORE IN MOLECULE IN IMPLANTABLE SYSTEMS FOR CONTINUOUS TRANSDERMAL MONITORING OF BLOOD GLUCOSE LEVELS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-27 US disclosed
US-6673625-B2 NAPTHALIMIDE BORONATE DERIVATIVES AND SUBSTITUTED CHLOROBENZOPHENOXAZINONE BORONATE DERIVATIVES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-01-06 US disclosed
EP-1214596-A1 GLUCOSE SENSING MOLECULES HAVING SELECTED FLUORESCENT PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-06-19 EP disclosed
US-20020010279-A1 Saccharide sensing molecules having enhanced fluorescent properties LAWRENCE LIVERMORE NATIONAL SECURITY LLC 2002-01-24 US disclosed
WO-2001020334-A1 GLUCOSE SENSING MOLECULES HAVING SELECTED FLUORESCENT PROPERTIES THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-22 WO 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-20020010279-A1 Saccharide sensing molecules having enhanced fluorescent properties SLC2A1, SLC2A9, SLC2A2 CYP1B1 756/4885ALDH1A1 261/4885POLB 4808/4885

“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.