SCHEMBL1967911

SCHEMBL1967911

COCCNCCc1ccc(OC)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.65
POLB P06746 1/20 0.65
SMN1; SMN2 Q16637 2/20 0.63
KDM4E B2RXH2 2/20 0.60
ALDH1A1 P00352 1/20 0.60
GLA P06280 1/20 0.60
SLC2A1 P11166 1/20 0.58
MAPT P10636 1/20 0.58
SIGMAR1 Q99720 2/20 0.57
KMT2A Q03164 2/20 0.56
CA12 O43570 2/20 0.55
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA9 Q16790 2/20 0.55
CA5A P35218 1/20 0.55
CA14 Q9ULX7 1/20 0.55
ADRB2 P07550 2/20 0.55
DRD2 P14416 1/20 0.55
DRD1 P21728 1/20 0.55
DRD4 P21917 1/20 0.55

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
SCHEMBL7435099 0.91 ATM (0.76) ATMPOLBSMN1; SMN2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL11808765 0.90 ATM (0.73) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1972067 0.85 SIGMAR1 (0.70) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL30798962 0.85 SLC2A1 (0.76) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL9781233 0.85 KDM4E (0.67) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL11811971 0.85 SLC2A1 (0.68) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL10924238 0.83 ATM (0.69) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL22222297 0.83 KMT2A (0.66) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL515430 0.83 SLC2A1 (0.74) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1969765 0.83 POLB (0.65) ATMPOLBSMN1; SMN2KDM4EALDH1A1

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
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 WO claimed
US-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD. (CH) 2011-09-01 US disclosed
EP-2334643-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES Actelion Pharmaceuticals Ltd. (CH) 2011-06-22 EP disclosed
WO-2010044054-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES ACTELION PHARMACEUTICALS LTD (CH) 2010-04-22 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 ATM 4794/4885POLB 4374/4885SMN1; SMN2 3751/4885

“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.