SCHEMBL15775508

SCHEMBL15775508

O=Cc1ccc(OCCOc2cccc(C(NC(=O)O)c3ccccc3)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TAAR1 Q96RJ0 1/20 0.50
ALDH1A1 P00352 4/20 0.43
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
MAPK1 P28482 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
PKM P14618 1/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 3/20 0.40
HRH3 Q9Y5N1 2/20 0.40
NPC1 O15118 2/20 0.40
MAPT P10636 1/20 0.40
PPARG P37231 1/20 0.39

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
SCHEMBL15775507 1.00 MEN1 (0.50) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL19903884 0.87 MAOA (0.53) KMT2AALDH1A1SMN1; SMN2PKMRAB9A
SCHEMBL14166168 0.87 KMT2A (0.44) MEN1KMT2ATAAR1ALDH1A1HPGD
SCHEMBL15784512 0.86 MEN1 (0.47) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL16697318 0.83 HTT (0.52) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL16697319 0.83 HTT (0.52) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL20373825 0.81 MAOA (0.59) KMT2AALDH1A1SMN1; SMN2PKMRAB9A
SCHEMBL14166160 0.81 KMT2A (0.52) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL14166070 0.81 MEN1 (0.47) MEN1KMT2ATAAR1ALDH1A1LMNA
SCHEMBL18098072 0.78 CHRM3 (0.65)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9453013-B2 Compounds having muscarinic receptor antagonist and beta2 adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2016-09-27 US disclosed
EP-2928890-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2015-10-14 EP disclosed
US-20150139916-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2015-05-21 US disclosed
WO-2014086927-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2014-06-12 WO 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-20150139916-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B MEN1 3333/4885KMT2A 3049/4885TAAR1 118/4885

“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.