SCHEMBL6889202

SCHEMBL6889202

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 3/20 0.49
LMNA P02545 3/20 0.49
HPGD P15428 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.42
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
POLB P06746 2/20 0.41
CYP1A2 P05177 1/20 0.41
ERCC1 P07992 1/20 0.41
TSHR P16473 1/20 0.41
ALOX12 P18054 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPC1 O15118 1/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
CYP1B1 Q16678 3/20 0.40

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
SCHEMBL6885683 0.88 CYP1B1 (0.54) ALDH1A1KDM4ELMNAMAPTPOLB
SCHEMBL21069711 0.81 HPGD (0.46) ALDH1A1LMNAHPGDL3MBTL1MAPT
SCHEMBL31419834 0.77 CYP1A2 (0.53) ALDH1A1KDM4ELMNAHPGDMAPT
SCHEMBL12832289 0.74 HEXA (0.63) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL3888669 0.74 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL11932614 0.74 ALDH1A1 (0.70) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL6885854 0.74 KDM4E (0.63) ALDH1A1KDM4ELMNAHPGDL3MBTL1
SCHEMBL20547967 0.72 CYP1A2 (0.47) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL20548002 0.72 CYP1A2 (0.47) ALDH1A1LMNAHPGDMAPTCYP1A2
SCHEMBL29929381 0.72 CYP1A2 (0.47) ALDH1A1LMNAHPGDMAPTCYP1A2

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 ALDH1A1 261/4885KDM4E 3240/4885LMNA 1541/4885

“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.