SCHEMBL14516610

SCHEMBL14516610

CC(=O)C1C2C=CC(O2)C1C(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPM1B O75688 4/20 0.44
FUCA1 P04066 1/20 0.40
ALDH1A1 P00352 6/20 0.35
KMT2A Q03164 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
HSD17B10 Q99714 2/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
ATM Q13315 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
USP2 O75604 1/20 0.31

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
SCHEMBL819846 0.91 PPM1B (0.56) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL16675540 0.91 PPM1B (0.56) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL9880145 0.91 PPM1B (0.56) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL11393084 0.74 PPM1B (0.61) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL1005051 0.74 PPM1B (0.61) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL13480836 0.74 PPM1B (0.61) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL6778458 0.74 PPM1B (0.61) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL9697481 0.74 PPM1B (0.61) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL13897079 0.74 PPM1B (0.61) PPM1BALDH1A1KMT2AL3MBTL1KDM4E
SCHEMBL12762660 0.72 PPM1B (0.39) PPM1BALDH1A1KMT2AL3MBTL1KDM4E

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-20160264593-A1 PROTEIN PHOSPHATASE INHIBITORS THAT CROSS THE BLOOD BRAIN BARRIER LIXTE BIOTECHNOLOGY, INC. 2016-09-15 US disclosed
US-7202016-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2007-04-10 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-20160264593-A1 PROTEIN PHOSPHATASE INHIBITORS THAT CROSS THE BLOOD BRAIN BARRIER DUSP1, PPP5C, DUSP15 PPM1B 42/4885FUCA1 388/4885ALDH1A1 2673/4885

“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.