SCHEMBL3580271

SCHEMBL3580271

CCOC(=O)c1ccc(OC(OC)N2CCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HPGD P15428 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ESR1 P03372 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
ESR2 Q92731 1/20 0.45
CA14 Q9ULX7 1/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
SLC6A3 Q01959 2/20 0.45
STS P08842 1/20 0.45
LMNA P02545 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
Oxalic Acid SCHEMBL3579470 0.96 KCNH2 (0.46) KCNH2HRH3RAB9ANPC1ALDH1A1
SCHEMBL2429238 0.86 SLC6A2 (0.52) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL72448 0.84 KCNH2 (0.51) KCNH2HRH3RAB9ANPC1ALDH1A1
SCHEMBL5155659 0.80 SLC6A2 (0.58) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD
SCHEMBL2429207 0.78 KCNH2 (0.46) KCNH2HRH3RAB9ANPC1ALDH1A1
SCHEMBL2433276 0.76 SLC6A2 (0.53) RAB9ANPC1ALDH1A1SMN1; SMN2CA1
SCHEMBL5152638 0.75 SLC6A2 (0.49) RAB9ANPC1ALDH1A1SMN1; SMN2CA1
SCHEMBL27567028 0.75 CA12 (0.53) RAB9AALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL31664440 0.74 CA12 (0.56) RAB9AALDH1A1SMN1; SMN2HPGDCA12
SCHEMBL982169 0.74 CA12 (0.59) RAB9ANPC1ALDH1A1SMN1; SMN2HPGD

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 4 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-20070105935-A1 Process for producing pyrrolidine derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-10 US 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 (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-20100076202-A1 METHOD FOR PRODUCING PYRROLIDINE DERIVATIVE ALDH18A1, PLAAT4, ACSL4 KCNH2 1337/4885HRH3 3971/4885RAB9A 2192/4885
US-20070105935-A1 Process for producing pyrrolidine derivative ACSL4, ALDH18A1, LTA KCNH2 1355/4885HRH3 4515/4885RAB9A 3282/4885

“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.