SCHEMBL14166208

SCHEMBL14166208

OCc1cccc(OCCCCC2OCCO2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.45
ACACA Q13085 2/20 0.43
GPBAR1 Q8TDU6 1/20 0.42
CYSLTR1 Q9Y271 1/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
CYP3A4 P08684 1/20 0.41
HIF1A Q16665 1/20 0.41
POLB P06746 1/20 0.39
PRSS1 P07477 3/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GGPS1 O95749 1/20 0.38
KDR P35968 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL14166366 0.96 ACACB (0.46) ACACBACACAGPBAR1CYSLTR1TSHR
SCHEMBL18320646 0.86 ALDH2 (0.45) ACACBACACAGPBAR1CYSLTR1TSHR
SCHEMBL16902876 0.83 TSHR (0.54) GPBAR1CYSLTR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL21573594 0.81 L3MBTL1 (0.49) TSHRSMN1; SMN2CYP3A4MAPK1L3MBTL1
SCHEMBL16902882 0.81 TSHR (0.53) GPBAR1CYSLTR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL16902896 0.81 TSHR (0.53) GPBAR1CYSLTR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL16902887 0.81 TSHR (0.53) GPBAR1CYSLTR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL16902889 0.81 TSHR (0.53) GPBAR1CYSLTR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL7254533 0.81 TSHR (0.53) GPBAR1CYSLTR1TSHRSMN1; SMN2ALDH1A1
SCHEMBL16902884 0.81 TSHR (0.53) GPBAR1CYSLTR1TSHRSMN1; SMN2ALDH1A1

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
EP-2718280-B1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMA SPA (IT) 2015-09-16 EP disclosed
US-8877774-B2 Compounds having muscarinic receptor antagonist and beta2 Adrenergic receptor agonist activity CHIESI FARMACEUTICI S.P.A. (IT) 2014-11-04 US disclosed
EP-2718280-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Chiesi Farmaceutici S.p.A. (IT) 2014-04-16 EP disclosed
US-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2013-02-21 US disclosed
WO-2012168359-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY CHIESI FARMACEUTICI S.P.A. (IT) 2012-12-13 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-20130045169-A1 COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2B ACACB 2410/4885ACACA 2460/4885GPBAR1 42/4885

“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.