SCHEMBL3963572

SCHEMBL3963572

C=CCOc1cc(OC)cc(Oc2ccc(CNc3cccc([N+](=O)[O-])c3C)cc2)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
POLB P06746 1/20 0.40
FFAR1 O14842 1/20 0.40
HPGD P15428 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
RAB9A P51151 1/20 0.37

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
SCHEMBL3967036 0.94 ALDH1A1 (0.43) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1161990 0.92 L3MBTL1 (0.44) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3968361 0.91 ALDH1A1 (0.48) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL1161660 0.90 ALDH1A1 (0.43) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL4237951 0.88 ALDH1A1 (0.51) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3965796 0.84 ALDH1A1 (0.39) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3967905 0.84 ALDH1A1 (0.39) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3966907 0.84 ALDH1A1 (0.41) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3971989 0.84 MAPT (0.42) NPC1ALDH1A1L3MBTL1KDM4EMAPT
SCHEMBL3966991 0.80 KDM4E (0.42) NPC1ALDH1A1L3MBTL1KDM4EMAPT

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 NPC1 1601/4885ALDH1A1 1310/4885L3MBTL1 3445/4885

“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.