SCHEMBL3576941

SCHEMBL3576941

CCOC(=O)C1CCC(OC(OC)N2CCCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 3/20 0.44
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 3/20 0.39
RAB9A P51151 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
SCHEMBL4810824 1.00 ALDH1A1 (0.46) ALDH1A1MAPTPOLBSMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL4812305 0.92 ALDH1A1 (0.40) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL1171081 0.87 SMN1; SMN2 (0.42) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL1171079 0.87 SMN1; SMN2 (0.42) ALDH1A1MAPTPOLBSMN1; SMN2GAA
SCHEMBL2435399 0.85 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL2435396 0.85 ALDH1A1 (0.43) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL71447 0.83 ALDH1A1 (0.48) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL71446 0.83 ALDH1A1 (0.48) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL72207 0.83 ALDH1A1 (0.51) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4
SCHEMBL71606 0.83 ALDH1A1 (0.48) ALDH1A1MAPTPOLBSMN1; SMN2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-25 US disclosed
US-7345179-B2 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2008-03-18 US disclosed
US-20070149607-A1 Method for producing pyrrolidine derivative DAICHI PAHARMACEUTICAL CO., LTD. (JP) 2007-06-28 US disclosed
US-20070105935-A1 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US disclosed
EP-1698621-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
EP-1623975-A1 PROCESS FOR PRODUCING PYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-02-08 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 (3 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-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE ALDH18A1, PLAAT4, ACSL4 ALDH1A1 110/4885MAPT 4672/4885POLB 1064/4885
US-20070149607-A1 Method for producing pyrrolidine derivative ALDH18A1, PLAAT4, ACSL4 ALDH1A1 110/4885MAPT 4672/4885POLB 1064/4885
US-20070105935-A1 Process for producing pyrrolidine derivative ACSL4, ALDH18A1, LTA ALDH1A1 139/4885MAPT 4107/4885POLB 1369/4885

“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.