SCHEMBL23767780

SCHEMBL23767780

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.35
PDE3A Q14432 3/20 0.35
PRKDC P78527 2/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CA P42336 2/20 0.34
PIK3CB P42338 2/20 0.34
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
XDH P47989 1/20 0.33
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
MITF O75030 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL23767777 0.89 PDE3B (0.36) PDE3BPDE3AALDH1A1MAPTMEN1
SCHEMBL23768027 0.87 PDE3B (0.31) PDE3BPDE3APRKDCALDH1A1MAPT
SCHEMBL22972949 0.86 PRKDC (0.36) PDE3BPDE3APRKDCPIK3CDPIK3CA
SCHEMBL23767819 0.85 PRKDC (0.31) PDE3BPDE3APRKDCALDH1A1MAPT
SCHEMBL23768023 0.84 BRD4 (0.30) NPC1RAB9ASMN1; SMN2
SCHEMBL23768029 0.83 PRKDC (0.30) PRKDC
SCHEMBL23767912 0.83 PRKDC (0.34) PDE3BPDE3APRKDCPIK3CDPIK3CA
SCHEMBL23767774 0.83 PRKDC (0.34) PDE3BPDE3APRKDCPIK3CDPIK3CA
SCHEMBL23767889 0.81 TDO2 (0.36) PRKDCPIK3CDPIK3CAPIK3CBADORA2A
SCHEMBL23767883 0.81 ALDH1A1 (0.33) PDE3BPDE3APRKDCPIK3CDPIK3CA

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 PDE3B 3880/4885PDE3A 4127/4885PRKDC 1574/4885

“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.