SCHEMBL1879598

SCHEMBL1879598

C=CCC(CC=C)CCC(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 3/20 0.43
POLB P06746 1/20 0.42
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
ALDH1A1 P00352 3/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ATM Q13315 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
SCHEMBL9709877 0.83 KMT2A (0.40) KMT2AL3MBTL1TSHRPOLBCYP1A2
SCHEMBL27163609 0.79 TSHR (0.38) KMT2AL3MBTL1TSHRPOLBCYP1A2
SCHEMBL7291814 0.78 L3MBTL1 (0.52) KMT2AL3MBTL1TSHRPOLBCYP1A2
SCHEMBL23849033 0.77 KMT2A (0.43) KMT2AL3MBTL1TSHRPOLBCYP1A2
SCHEMBL10728761 0.77 KMT2A (0.40) KMT2AL3MBTL1TSHRPOLBCYP1A2
SCHEMBL5000141 0.76 L3MBTL1 (0.50) KMT2AL3MBTL1TSHRPOLBCYP1A2
SCHEMBL28483496 0.76 TSHR (0.46) KMT2ATSHRGAAMGAMSI
SCHEMBL10728754 0.76 KMT2A (0.39) KMT2AL3MBTL1TSHRPOLBCYP1A2
SCHEMBL27163257 0.76 L3MBTL1 (0.46) KMT2AL3MBTL1TSHRPOLBCYP1A2
SCHEMBL13199996 0.75 L3MBTL1 (0.42) KMT2AL3MBTL1TSHRPOLBCYP1A2

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
EP-2192109-B1 BICYCLIC -AMINO ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2013-09-04 EP disclosed
US-7947738-B2 Bicyclic γ-amino acid derivative DAIICHI SANKYO COMPANY, LTD. (JP) 2011-05-24 US disclosed
US-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE DAIICHI SANKYO COMPANY, LTD. (JP) 2010-09-30 US disclosed
EP-2192109-A1 BICYCLIC -AMINO ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2010-06-02 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-20100249229-A1 BICYCLIC gamma-AMINO ACID DERIVATIVE GLRA2, GLRB, BCAT1 KMT2A 932/4885L3MBTL1 1932/4885TSHR 308/4885

“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.