SCHEMBL13618088

SCHEMBL13618088

CCCCOc1ccc(C(C)=O)c2ccc(=O)[nH]c12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.42
CNR2 P34972 4/20 0.41
CNR1 P21554 3/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
PPARG P37231 2/20 0.40
PPARD Q03181 2/20 0.40
PPARA Q07869 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP1A2 P05177 1/20 0.40
NFKB1 P19838 1/20 0.40
BLM P54132 1/20 0.40
GRM2 Q14416 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
PDE5A O76074 2/20 0.39
TSHR P16473 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYSLTR2 Q9NS75 3/20 0.38
CYSLTR1 Q9Y271 3/20 0.38

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
SCHEMBL13589496 0.88 CNR2 (0.41) CA9CNR2CNR1CYP2C9GRM2
SCHEMBL16066906 0.86 CNR2 (0.42) CA9CNR2CNR1LMNAMAPT
SCHEMBL13617611 0.86 HPGDS (0.42) CA9CNR2CNR1LMNAMAPT
SCHEMBL16066899 0.86 CNR2 (0.39) CA9CNR2CNR1LMNAMAPT
SCHEMBL30862094 0.80 KDM4E (0.45) CA9LMNAMAPTBLML3MBTL1
SCHEMBL20285785 0.80 PDE3B (0.38) LMNAMAPTTSHRALDH1A1KDM4E
SCHEMBL29498305 0.80 MAPT (0.54) CA9MAPTCYP2C9L3MBTL1TSHR
SCHEMBL98338 0.80 MAPT (0.54) CA9MAPTCYP2C9L3MBTL1TSHR
SCHEMBL13617868 0.77 ADRB2 (0.47) LMNACYP2C9CYP1A2TSHRKDM4E
SCHEMBL13617663 0.76 ADRB2 (0.44) LMNACYP2C9CYP1A2TSHRKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014139485-A1 A METHOD FOR THE PREPARATION OF 5-[(R)-2-(5,6-DIETHYL-INDAN-2-YLAMINO)-L-HYDROXYETHYL]- 8-HYDROXY-(1H)-QUINOLIN-2-ONE (INDACATEROL) ZENTIVA, K.S. (CZ) 2014-09-18 WO disclosed
EP-1641465-B1 COMBINATIONS OF AN ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONIST AND A CORTICOSTEROID THERAVANCE INC (US) 2009-11-04 EP disclosed
EP-1446379-B1 ARYL ANILINE BETA-2 ADRENERGIC RECEPTOR AGONISTS THERAVANCE INC (US) 2009-04-29 EP disclosed
US-7452995-B2 Aryl aniline β2 adrenergic receptor agonists THERAVANCE, INC. (US) 2008-11-18 US disclosed
US-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists THERAVANCE BIOPHARMA R&D IP, LLC 2007-09-27 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-20070225329-A1 Aryl aniline beta2 adrenergic receptor agonists ADRB2, ADRB3, ADRB1 CA9 4621/4885CNR2 35/4885CNR1 86/4885

“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.