SCHEMBL22207992

SCHEMBL22207992

COCCNC(=O)CC1CCCc2nc3ccccc3c(C(=O)O)c21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 5/20 0.46
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
HPGD P15428 2/20 0.45
MEN1 O00255 1/20 0.44
BLM P54132 1/20 0.44
KMT2A Q03164 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
GAA P10253 3/20 0.43
ALPL P05186 2/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RECQL P46063 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL22208026 0.75 HSD17B10 (0.65) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL22208011 0.75 HSD17B10 (0.68) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL22207994 0.73 POLB (0.78) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL9042855 0.69 CYP1A2 (0.64) ALDH1A1TSHR
SCHEMBL23710419 0.65 ALOX15 (0.64) ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22208019 0.63 HSD17B10 (0.76) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL6892551 0.63 POLB (0.72) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL30861636 0.63 POLB (0.72) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL2363298 0.63 ALDH1A1 (0.72) POLBALDH1A1KDM4EMAPTHPGD
SCHEMBL22208042 0.63 POLB (0.41) POLBALDH1A1KDM4EMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3908306-A1 PHOSPHATASE BINDING COMPOUNDS AND METHODS OF USING SAME Yale University (US) 2021-11-17 EP disclosed
US-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY 2020-08-27 US disclosed
WO-2020146470-A1 Phosphatase Binding Compounds and Methods of Using Same YALE UNIVERSITY (US) 2020-07-16 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-20200268897-A1 Phosphatase Binding Compounds and Methods of Using Same PPP5C, PPP4C, DUSP26 POLB 2253/4885ALDH1A1 3756/4885KDM4E 2696/4885

“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.