SCHEMBL23767774

SCHEMBL23767774

CC(C)(C)[Si]1(C(C)(C)C)C2=CC(=O)C=CC2=Nc2ccc(N3CCOCC3)cc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 4/20 0.33
MAPK1 P28482 2/20 0.33
XDH P47989 1/20 0.33
PDE3B Q13370 3/20 0.33
PDE3A Q14432 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
HPGD P15428 1/20 0.33
NTSR1 P30989 1/20 0.33
PSMB5 P28074 1/20 0.32
PIK3CG P48736 1/20 0.32
LGMN Q99538 1/20 0.32
TDO2 P48775 1/20 0.32
IDO2 Q6ZQW0 1/20 0.32
KDM4E B2RXH2 2/20 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
SCHEMBL23768030 0.89 PDE3B (0.36) ALDH1A1MAPTPDE3BPDE3AHPGD
SCHEMBL23768028 0.87 ALDH1A1 (0.32) PRKDCALDH1A1MAPTMAPK1PSMB5
SCHEMBL22972949 0.86 PRKDC (0.36) PRKDCPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL23767818 0.85 PRKDC (0.31) PRKDCALDH1A1MAPTHPGDPSMB5
SCHEMBL23768022 0.84 ALDH1A1 (0.32) ALDH1A1MAPTMAPK1
SCHEMBL23767820 0.83 PSMB5 (0.31) PRKDCPSMB5
SCHEMBL23767780 0.83 PDE3B (0.35) PRKDCPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL23767912 0.83 PRKDC (0.34) PRKDCPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL23767883 0.81 ALDH1A1 (0.33) PRKDCPIK3CDPIK3CAPIK3CBALDH1A1
SCHEMBL23767889 0.81 TDO2 (0.36) PRKDCPIK3CDPIK3CAPIK3CBALDH1A1

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-20210252152-A1 NEAR-INFRARED (NIR) ABSORBING PHOTOSENSITIZERS ORTA DOGU TEKNIK UNIVERSITESI (TR) 2021-08-19 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-20210252152-A1 NEAR-INFRARED (NIR) ABSORBING PHOTOSENSITIZERS PPIF, MT-ND2, PPOX PRKDC 1574/4885PIK3CD 4235/4885PIK3CA 3627/4885

“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.