SCHEMBL4392228

SCHEMBL4392228

C1CN(CNCN2CCOCC2)CCO1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
KDM4E B2RXH2 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KEAP1 Q14145 1/20 0.42
HSD17B10 Q99714 3/20 0.41
ALOX15 P16050 2/20 0.39
TSHR P16473 1/20 0.39
PAOX Q6QHF9 1/20 0.39
CYP2A13 Q16696 2/20 0.39
HPGD P15428 1/20 0.39
DUSP3 P51452 1/20 0.39
GLA P06280 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL20052076 0.85 HTT (0.41) USP2KDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL10702024 0.82 HTT (0.46) USP2SMN1; SMN2ALDH1A1KEAP1TSHR
SCHEMBL15806389 0.81 KDM4E (0.48) USP2KDM4ESMN1; SMN2ALDH1A1HSD17B10
SCHEMBL7080098 0.79 HSD17B10 (0.39) USP2KDM4ESMN1; SMN2ALDH1A1KEAP1
SCHEMBL22251461 0.78
SCHEMBL10508086 0.78
SCHEMBL3721906 0.78 SMN1; SMN2 (0.39) USP2KDM4ESMN1; SMN2ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL10513398 0.76 ALDH1A1 (0.39) USP2KDM4ESMN1; SMN2ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL26131010 0.76 SMN1; SMN2 (0.43) USP2KDM4ESMN1; SMN2ALDH1A1KEAP1
Hydrochloric Acid SCHEMBL10511161 0.76 GLA (0.39) USP2KDM4ESMN1; SMN2ALDH1A1KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME MITSUI CHEMICALS, INC. (JP) 2009-12-10 US disclosed
US-20070054084-A1 Optical recording medium and compound used for the same MITSUI CHEMICALS, INC. (JP) 2007-03-08 US disclosed
EP-1672626-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM Mitsui Chemicals, Inc. (JP) 2006-06-21 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-20090306376-A1 OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME CACNA1B, KCNN4, KCNN2 USP2 4801/4885KDM4E 4006/4885SMN1; SMN2 728/4885

“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.