SCHEMBL1603754

SCHEMBL1603754

CCOC(=O)CCC(=O)C(CC)CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.47
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
ALDH1A1 P00352 5/20 0.43
TRPA1 O75762 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 2/20 0.41
KMT2A Q03164 2/20 0.40
CYP4F2 P78329 2/20 0.39
CYP4A11 Q02928 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NR1I2 O75469 1/20 0.38
PGR P06401 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PTGS2 P35354 1/20 0.38
PDE4D Q08499 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
SCHEMBL28180703 0.81 CYP1A2 (0.36) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL22780 0.81 GAA (0.67) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL27768067 0.81 GAA (0.67) CYP1A2GAAMGAMSIMGAM2
SCHEMBL328134 0.81 USP2 (0.43) TSHR
SCHEMBL27934173 0.80 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL4388016 0.80 CYP1A2 (0.48) CYP1A2GAAMGAMSIMGAM2
SCHEMBL4418314 0.80 GAA (0.61) CYP1A2GAAMGAMSIMGAM2
SCHEMBL22123111 0.78 CES2 (0.47) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL4324913 0.78 GAA (0.63) CYP1A2GAAMGAMSIMGAM2
Succinic Acid Diethyl Ester SCHEMBL28853161 0.78 GAA (0.63) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS GFBIOCHEMICALS LIMITED (MT) 2015-10-15 US disclosed
US-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2014-05-15 US disclosed
US-8653223-B2 Transketalized compositions, synthesis, and applications SEGETIS, INC. (US) 2014-02-18 US disclosed
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2011-04-07 US disclosed
WO-2009146202-A2 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS SEGETIS, INC. (US) 2009-12-03 WO 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-20140135455-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 CYP1A2 2759/4885GAA 891/4885MGAM 365/4885
US-20110082264-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 CYP1A2 2759/4885GAA 891/4885MGAM 365/4885
US-20150291567-A1 TRANSKETALIZED COMPOSITIONS, SYNTHESIS, AND APPLICATIONS TKT, KHK, KYAT3 CYP1A2 2759/4885GAA 891/4885MGAM 365/4885

“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.