SCHEMBL3968899

SCHEMBL3968899

COC(=O)CCc1ccc(Oc2ccc(CNc3cccc([N+](=O)[O-])c3C)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
FFAR1 O14842 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 2/20 0.43
PTPN1 P18031 1/20 0.42
KMT2A Q03164 2/20 0.41
POLB P06746 2/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL3967926 0.91 ALDH1A1 (0.56) ALDH1A1L3MBTL1RAB9ACYP1A2CYP3A4
SCHEMBL3959791 0.84 MAPT (0.53) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3970361 0.82 MAPT (0.48) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3968423 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3970673 0.80 NR3C1 (0.50) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL3970667 0.80 NR3C1 (0.50) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL7178613 0.79 MAPT (0.47) ALDH1A1L3MBTL1NPC1RAB9ACYP1A2
SCHEMBL7675964 0.79 MAPT (0.43) ALDH1A1L3MBTL1CYP1A2CYP3A4CYP2D6
SCHEMBL3968361 0.78 ALDH1A1 (0.48) ALDH1A1L3MBTL1NPC1CYP1A2CYP3A4
SCHEMBL3966957 0.77 NR3C1 (0.49) ALDH1A1CYP1A2CYP3A4CYP2C19KMT2A

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
EP-1363876-B1 GLUCOCORTICOID RECEPTOR MODULATORS KAROBIO AB (SE) 2009-07-29 EP disclosed
US-6583180-B2 Antidiabetic agents ABBOTT LABORATORIES 2003-06-24 US disclosed
US-20020156311-A1 Glucocorticoid receptor modulators KARO BIO AB (SE) 2002-10-24 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-20020156311-A1 Glucocorticoid receptor modulators NR3C1, NR5A1, NR3C2 ALDH1A1 1310/4885L3MBTL1 3445/4885NPC1 1601/4885

“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.