SCHEMBL5097106

SCHEMBL5097106

CCOC(=O)CCC1(CCC(=O)O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.41
GAA P10253 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
EPHX2 P34913 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PAM P19021 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL5103655 0.93 CYP1A2 (0.39) CYP1A2GAAMGAMSIMGAM2
SCHEMBL1863674 0.92 CYP1A2 (0.47) CYP1A2GAAMGAMSIMGAM2
SCHEMBL23484497 0.85 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL5109822 0.85 CYP1A2 (0.44) CYP1A2GAAMGAMSIMGAM2
SCHEMBL16323800 0.83 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL23484397 0.83 CYP1A2 (0.42) CYP1A2GAAMGAMSIMGAM2
SCHEMBL27636263 0.81 GAA (0.37) CYP1A2GAAMGAMSIMGAM2
SCHEMBL16248383 0.79 CYP1A2 (0.39) CYP1A2GAAMGAMSIMGAM2
SCHEMBL17188681 0.78 FFAR3 (0.46) ALDH1A1LMNATSHRMEN1MAPT
SCHEMBL14032871 0.76 CYP1A2 (0.40) CYP1A2GAAMGAMSIMGAM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439263-B2 Pyrrolidine and thiazolidine compounds LES LABORATOIRES SERVIER (FR) 2008-10-21 US disclosed
US-20050261501-A1 Pyrrolidine and thiazolidine compounds LES LABORATOIRES SERVIER (FR) 2005-11-24 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 (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-20050261501-A1 Pyrrolidine and thiazolidine compounds DPP4, DPP3, NR4A1 CYP1A2 835/4885GAA 3579/4885MGAM 3350/4885

“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.