SCHEMBL17397291

SCHEMBL17397291

CCOC(=O)CC(C(C)=O)P(=O)(OCC)OCC

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
TSHR P16473 4/20 0.45
CYP3A4 P08684 3/20 0.41
ALOX15 P16050 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
GAA P10253 2/20 0.39
MGAM O43451 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
HSD17B10 Q99714 2/20 0.37
CHRM1 P11229 1/20 0.37
ADORA1 P30542 1/20 0.37
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.34
MAPT P10636 2/20 0.33
CYP1A2 P05177 1/20 0.32

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
SCHEMBL9461450 0.87 ALDH1A1 (0.54) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL11690303 0.86 ALDH1A1 (0.53) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28132254 0.86 GAA (0.39) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL30459970 0.86 ALDH1A1 (0.49) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL25801646 0.80 ALDH1A1 (0.41) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL8598579 0.79 ALDH1A1 (0.45) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL28817638 0.79 CYP3A4 (0.40) TSHRCYP3A4TDP1GAACYP2C9
SCHEMBL11744826 0.77 ALDH1A1 (0.44) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL10384015 0.76 ALDH1A1 (0.42) ALDH1A1TSHRCYP3A4ALOX15TDP1
SCHEMBL11745263 0.76 ALDH1A1 (0.43) ALDH1A1TSHRCYP3A4ALOX15TDP1

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-9944639-B2 Quinolizinone derivatives as PI3K inhibitors LUPIN LIMITED (IN) 2018-04-17 US disclosed
WO-2017103825-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-06-22 WO disclosed
US-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2017-05-18 US disclosed
EP-3164400-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS Lupin Limited (IN) 2017-05-10 EP disclosed
WO-2016001855-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS LUPIN LIMITED (IN) 2016-01-07 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 (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-20170137421-A1 QUINOLIZINONE DERIVATIVES AS PI3K INHIBITORS PIK3R5, PIK3R1, PIK3R4 ALDH1A1 3498/4885TSHR 1660/4885CYP3A4 694/4885

“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.