SCHEMBL10031397

SCHEMBL10031397

CC(C)(C)OC(=O)NCCOC(=O)c1ccc2c(c1)OCCOCCOCCOCCO2

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.55
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 2/20 0.47
▸ RAB9A P51151 2/20 0.47
▸ TP53 P04637 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47
▸ ADRB2 P07550 2/20 0.46
▸ ADRB1 P08588 2/20 0.46
▸ ADRB3 P13945 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL12506733 0.85 SMN1; SMN2 (0.59) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL10064478 0.83 SMN1; SMN2 (0.57) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL10064481 0.83 SMN1; SMN2 (0.61) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL21770322 0.79 HPGD (0.55) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL10031402 0.76 SMN1; SMN2 (0.65) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL20826393 0.76 MAPT (0.64) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL12395553 0.76 MAPT (0.64) KDM4ESMN1; SMN2LMNANPC1RAB9A
SCHEMBL30627676 0.76 MAPT (0.57) SMN1; SMN2LMNANPC1RAB9ATP53
SCHEMBL18647502 0.75 IDO1 (0.51) KDM4ENPC1TSHRADRB2ADRB1
SCHEMBL10064480 0.74 SMN1; SMN2 (0.49) KDM4ESMN1; SMN2LMNANPC1RAB9A

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 5 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

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 KDM4E 2786/4885SMN1; SMN2 2353/4885LMNA 4394/4885
US-20110165089-A1 Complex Compound and MRI Probe Made of Same KCNN2, KCNN1, KCNN3 KDM4E 2786/4885SMN1; SMN2 2353/4885LMNA 4394/4885

“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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