SCHEMBL9102020

SCHEMBL9102020

O=P(O)(O)Cc1ccc(-c2cccc(C(F)(F)F)c2)cn1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 2/20 0.54
ALDH1A1 P00352 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PTPN5 P54829 2/20 0.44
PARP1 P09874 1/20 0.44
PTPN1 P18031 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
GRIN2B Q13224 5/20 0.43
GRIN1 Q05586 3/20 0.43
PGK1 P00558 1/20 0.43
PGK2 P07205 1/20 0.43
F2R P25116 1/20 0.42
KIF11 P52732 1/20 0.42
CYP2C9 P11712 1/20 0.42
KCNH2 Q12809 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
SCHEMBL12820612 0.86 GRIN2B (0.44) ACP3ALDH1A1L3MBTL1PTPN5GAA
SCHEMBL16499027 0.83 SRC (0.46) PGK1PGK2
SCHEMBL3722784 0.82 F2R (0.43) ALDH1A1L3MBTL1GAAATMGRIN2B
SCHEMBL13840878 0.79 ALDH1A1 (0.52) ALDH1A1L3MBTL1GAAATMGRIN2B
SCHEMBL17007182 0.78 KMT2A (0.49) ACP3ALDH1A1PGK1PGK2
SCHEMBL14769155 0.78 PGK1 (0.47) ACP3PGK1PGK2
SCHEMBL1585625 0.77 PGK1 (0.46) ACP3PGK1PGK2
SCHEMBL1585621 0.77 PGK1 (0.46) ACP3PGK1PGK2
SCHEMBL16068085 0.72 GRIN1 (0.55) ALDH1A1L3MBTL1PARP1GAAATM
SCHEMBL29134978 0.72 GRIN1 (0.55) ALDH1A1L3MBTL1PARP1GAAATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142690-A1 Substituted piperidines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-06-07 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-20120142690-A1 Substituted piperidines VHL, PIR, PIGO ACP3 527/4885ALDH1A1 265/4885L3MBTL1 3725/4885

“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.