SCHEMBL16019686

SCHEMBL16019686

O=C1CCC(CCCCc2ccccc2)=NN1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
SIGMAR1 Q99720 6/20 0.41
MAOA P21397 3/20 0.40
MAOB P27338 2/20 0.40
DHFR P00374 1/20 0.40
DAO P14920 2/20 0.40
FAAH O00519 1/20 0.39
MGLL Q99685 1/20 0.39
MAPT P10636 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 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
SCHEMBL3644791 0.70 SMN1; SMN2 (0.36) ALDH1A1SMN1; SMN2MAPT
SCHEMBL10354576 0.70 MAOA (0.70) ALDH1A1SIGMAR1MAOAMAOBMAPT
SCHEMBL4462633 0.69 AXL (0.50) ALDH1A1SMN1; SMN2MAOAMAOBDHFR
SCHEMBL451456 0.67 MAOA (0.74) ALDH1A1SIGMAR1MAOAMAOBMAPT
SCHEMBL27931126 0.65 MAOA (0.64) SMN1; SMN2SIGMAR1MAOAMAOBMAPT
SCHEMBL6546948 0.65 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL1433686 0.65 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8095284 0.65 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL676854 0.65 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1
SCHEMBL8085946 0.65 SIGMAR1 (0.71) SIGMAR1MAOAMAOBMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides HONG KONG POLYTECHNIC UNIVERSITY (HK) 2014-09-11 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-20140256926-A1 Ionic Tags for Synthesis of Oligoribonucleotides RNGTT, OSTC, OSGEP ALDH1A1 3379/4885SMN1; SMN2 4198/4885SIGMAR1 4688/4885

“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.