SCHEMBL10031402

SCHEMBL10031402

NCCOC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.65
▸ LMNA P02545 1/20 0.60
▸ KDM4E B2RXH2 3/20 0.57
▸ NPC1 O15118 3/20 0.56
▸ RAB9A P51151 3/20 0.56
▸ TSHR P16473 3/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ L3MBTL1 Q9Y468 2/20 0.56
▸ POLB P06746 1/20 0.56
▸ MAPT P10636 2/20 0.53
▸ NPSR1 Q6W5P4 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.50
▸ CASP3 P42574 1/20 0.50
▸ SENP8 Q96LD8 1/20 0.50
▸ SENP7 Q9BQF6 1/20 0.50
▸ SENP6 Q9GZR1 1/20 0.50
▸ TDP1 Q9NUW8 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ HPGD P15428 1/20 0.50

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
SCHEMBL14369826 0.87 ADRB2 (0.55) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL12395553 0.83 MAPT (0.64) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL20826393 0.83 MAPT (0.64) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL10064481 0.83 SMN1; SMN2 (0.61) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL12506733 0.81 SMN1; SMN2 (0.59) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL10064478 0.79 SMN1; SMN2 (0.57) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL12550802 0.78 SMN1; SMN2 (0.79) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL12550805 0.78 SMN1; SMN2 (0.79) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL1464834 0.78 MAPK1 (0.69) SMN1; SMN2LMNAKDM4ENPC1RAB9A
SCHEMBL29882235 0.78 KDM4E (0.69) SMN1; SMN2LMNAKDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8460636-B2 Complex compound and MRI probe made of same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-06-11 — — US disclosed
US-8460636-B2 Complex compound and MRI probe made of same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2013-06-11 — — US disclosed
US-20120093735-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME SUZUKI KOJI (JP) 2012-04-19 — — US disclosed
US-20120093735-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME SUZUKI KOJI (JP) 2012-04-19 — — US disclosed
US-20110165089-A1 Complex Compound and MRI Probe Made of Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-07 — — US disclosed
US-20110165089-A1 Complex Compound and MRI Probe Made of Same JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2011-07-07 — — US disclosed
EP-1864968-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME Japan Science and Technology Agency (JP) 2007-12-12 — — 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 (2 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-20120093735-A1 COMPLEX COMPOUND AND MRI PROBE MADE OF SAME KCNN2, KCNN1, KCNN3 SMN1; SMN2 2353/4885LMNA 4394/4885KDM4E 2786/4885
US-20110165089-A1 Complex Compound and MRI Probe Made of Same KCNN2, KCNN1, KCNN3 SMN1; SMN2 2353/4885LMNA 4394/4885KDM4E 2786/4885

“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.

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