SCHEMBL15768401

SCHEMBL15768401

CC(C)(C)N(C(=O)O)C(c1ccccc1)c1cccc(OCCOc2ccc(C=O)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
MAPK1 P28482 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 2/20 0.39
PPARA Q07869 5/20 0.39
CACNA1B Q00975 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
NR1H3 Q13133 1/20 0.37
PKM P14618 1/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
PPARG P37231 3/20 0.36
PTGES O14684 1/20 0.36
ALOX5 P09917 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL15768398 1.00 LMNA (0.40) LMNAMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL14694686 0.78 SIRT2 (0.45) LMNAALDH1A1SMN1; SMN2KDM4EPPARA
SCHEMBL14694890 0.76 ALDH1A1 (0.41) LMNAALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL15784512 0.75 MEN1 (0.47) LMNAMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15775508 0.74 MEN1 (0.50) LMNAMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15775507 0.74 MEN1 (0.50) LMNAMAPK1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL15768255 0.73 CHRM3 (0.39)
SCHEMBL15768257 0.73 CHRM3 (0.39)
SCHEMBL15768259 0.73 CHRM3 (0.39)
SCHEMBL14694553 0.73 SLC6A2 (0.46)

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-8980913-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2015-03-17 US disclosed
US-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 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-20140163066-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B LMNA 2892/4885MAPK1 1362/4885L3MBTL1 4166/4885

“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.