SCHEMBL1043952

SCHEMBL1043952

COc1ccc(CN2CCN(Cc3ccc(OC)cc3)CCN(Cc3ccc(OC)cc3)CC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.85
SMN1; SMN2 Q16637 2/20 0.76
PTGIR P43119 1/20 0.69
CHKA P35790 1/20 0.68
POLB P06746 2/20 0.62
PKM P14618 1/20 0.62
LMNA P02545 2/20 0.60
ALDH1A1 P00352 1/20 0.60
MAPK1 P28482 1/20 0.60
HTR1A P08908 1/20 0.59
DRD2 P14416 1/20 0.59
HTR2B P41595 1/20 0.59

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
SCHEMBL20804352 1.00 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL19285228 1.00 SIGMAR1 (0.85) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL1045386 0.94 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL1043090 0.94 SIGMAR1 (0.77) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL22642319 0.92 SIGMAR1 (0.74) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL12126812 0.92 CHKA (0.79) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL18234102 0.92 SIGMAR1 (0.74) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL3171551 0.92 PTGIR (0.81) SIGMAR1SMN1; SMN2PTGIRCHKAALDH1A1
SCHEMBL1045927 0.92 PTGIR (0.75) SIGMAR1SMN1; SMN2PTGIRCHKAPOLB
SCHEMBL10502107 0.91 SIGMAR1 (0.72) SIGMAR1SMN1; SMN2PTGIRCHKA

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
EP-2269995-B1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DAINIPPON INK & CHEMICALS (JP) 2012-12-12 EP disclosed
US-8017706-B2 Process for production of polymers with iron complex catalyst DIC CORPORATION (JP) 2011-09-13 US disclosed
US-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporatio (JP) 2011-05-05 US disclosed
EP-2269995-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST DIC Corporation (JP) 2011-01-05 EP 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-20110105703-A1 PROCESS FOR PRODUCTION OF POLYMERS WITH IRON COMPLEX CATALYST TFRC, FECH, FTH1 SIGMAR1 886/4885SMN1; SMN2 3504/4885PTGIR 504/4885

“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.