SCHEMBL2899040

SCHEMBL2899040

CC(O)(c1ccccc1)c1ccc(N2CCOCC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 6/20 0.50
MAPT P10636 8/20 0.49
PKM P14618 1/20 0.49
TSHR P16473 1/20 0.49
KCNA5 P22460 2/20 0.48
ALDH1A1 P00352 8/20 0.47
NPC1 O15118 5/20 0.47
RAB9A P51151 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 2/20 0.47
CYP1A2 P05177 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALOX15 P16050 2/20 0.46
HSD17B10 Q99714 2/20 0.46
USP2 O75604 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C9 P11712 1/20 0.45

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
SCHEMBL16312949 0.85 NPC1 (0.49) LMNASMN1; SMN2MAPTPKMTSHR
SCHEMBL30927958 0.84 KCNA5 (0.53) LMNASMN1; SMN2MAPTKCNA5NPC1
SCHEMBL29226444 0.84 KCNA5 (0.53) LMNASMN1; SMN2MAPTKCNA5NPC1
SCHEMBL5738297 0.82 MAPT (0.54) LMNASMN1; SMN2MAPTPKMALDH1A1
SCHEMBL12592356 0.80 SMN1; SMN2 (0.51) LMNASMN1; SMN2MAPTPKMTSHR
SCHEMBL162513 0.80 LMNA (0.51) LMNASMN1; SMN2MAPTPKMTSHR
SCHEMBL28370082 0.80 LMNA (0.51) LMNASMN1; SMN2MAPTPKMTSHR
SCHEMBL6972013 0.79 MAPT (0.55) LMNASMN1; SMN2MAPTPKMALDH1A1
SCHEMBL270272 0.78 MAPT (0.65) LMNASMN1; SMN2MAPTALDH1A1NPC1
SCHEMBL10405261 0.78 MAPT (0.50) LMNASMN1; SMN2MAPTTSHRALDH1A1

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-7968577-B2 Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-06-28 US disclosed
US-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 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-20100063051-A1 MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF NFRKB, NFKB2, NFKBIA LMNA 3747/4885SMN1; SMN2 3477/4885MAPT 1222/4885

“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.