SCHEMBL10332011

SCHEMBL10332011

CCc1ccc(-c2ccc(OC(C)C)cc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.54
RAB9A P51151 6/20 0.54
NPC1 O15118 4/20 0.54
TP53 P04637 2/20 0.53
MAPT P10636 5/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
CASP3 P42574 1/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP7 Q9BQF6 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
THRB P10828 2/20 0.45
NFKB1 P19838 1/20 0.43
MAPK1 P28482 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP11B1 P15538 1/20 0.42
POLB P06746 1/20 0.41
STAT3 P40763 1/20 0.41
ATM Q13315 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
SCHEMBL9061973 0.86 RAB9A (0.52) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL803150 0.81 RAB9A (0.69) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL12603806 0.79 POLB (0.52) RAB9ACYP1A2POLBMCL1
SCHEMBL10332074 0.79 RAB9A (0.58) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL10559857 0.78 RAB9A (0.69) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL2056330 0.78 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL14988627 0.78 MAP4K4 (0.46) SMN1; SMN2RAB9ANPC1TP53MAPT
SCHEMBL805120 0.77 POLB (0.57) RAB9ANPC1CYP1A2POLB
SCHEMBL3423534 0.77 ALDH1A3 (0.62) TP53MAPTL3MBTL1CYP1A2CYP11B1
SCHEMBL12684741 0.76 RAB9A (0.63) SMN1; SMN2RAB9ANPC1TP53MAPT

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
US-8222247-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-kappabeta activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2012-07-17 US disclosed
US-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-01-07 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-20100004219-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-KAPPABETA ACTIVITY AND USE THEREOF NR3C1, NFRKB, RELA SMN1; SMN2 3208/4885RAB9A 1283/4885NPC1 1816/4885

“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.