SCHEMBL1972067

SCHEMBL1972067

CCCNCCc1ccc(OC)c(OC)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.70
ATM Q13315 2/20 0.67
POLB P06746 1/20 0.67
SMN1; SMN2 Q16637 2/20 0.65
KDM4E B2RXH2 2/20 0.61
ALDH1A1 P00352 1/20 0.61
GLA P06280 1/20 0.61
SLC2A1 P11166 1/20 0.59
MAPT P10636 1/20 0.59
KMT2A Q03164 1/20 0.58
HTR1A P08908 1/20 0.57
HTR1D P28221 1/20 0.57
HTR1B P28222 1/20 0.57
HTR2A P28223 1/20 0.57
HTR7 P34969 1/20 0.57
HTR2B P41595 1/20 0.57
HTR5A P47898 1/20 0.57
CA12 O43570 2/20 0.56
CA1 P00915 2/20 0.56
CA2 P00918 2/20 0.56

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 0.93 ATM (0.76) SIGMAR1ATMPOLBSMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL11808765 0.91 ATM (0.73) SIGMAR1ATMPOLBSMN1; SMN2KDM4E
SCHEMBL28670719 0.90 SLC2A1 (0.64) SIGMAR1ATMPOLBSMN1; SMN2KDM4E
SCHEMBL1966411 0.88 ATM (0.69) SIGMAR1ATMPOLBSMN1; SMN2KDM4E
SCHEMBL4615848 0.87 SLC2A1 (0.69) SIGMAR1ATMPOLBSMN1; SMN2KDM4E
SCHEMBL4616087 0.87 SLC2A1 (0.69) SIGMAR1ATMPOLBSMN1; SMN2KDM4E
SCHEMBL30798962 0.86 SLC2A1 (0.76) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL11811971 0.86 SLC2A1 (0.68) ATMPOLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL1967911 0.85 ATM (0.65) SIGMAR1ATMPOLBSMN1; SMN2KDM4E
SCHEMBL22222297 0.85 KMT2A (0.66) SIGMAR1ATMPOLBSMN1; SMN2KDM4E

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 9 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
EP-0450066-B1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMA CO LTD (JP) 1996-09-11 EP disclosed
US-5401740-A FOR INHIBITING PLATELET AGGREGATION OTSUKA PHARMACEUTICAL CO. (JP) 1995-03-28 US disclosed
US-5227381-A Anticoagulant OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-13 US disclosed
EP-0450066-A1 CARBOSTYRIL DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-10-09 EP disclosed
US-4379788-A HYPOTENSIVES, ANTIARRHYTHMIA, B-BLOCKERS DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-04-12 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-20110212968-A1 PHENETHYLAMIDE DERIVATIVES AND THEIR HETEROCYCLIC ANALOGUES HCRTR2, HCRTR1, HRH3 SIGMAR1 108/4885ATM 4794/4885POLB 4374/4885

“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.