SCHEMBL23767943

SCHEMBL23767943

C[Si]1(C)C2=CC(=[N+]3CCOCC3)C=CC2=Nc2ccc(N3CCOCC3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 2/20 0.33
MAPT P10636 4/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HSD17B10 Q99714 2/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
LGMN Q99538 1/20 0.31
TP53 P04637 2/20 0.30
MAPK1 P28482 2/20 0.30
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALOX15 P16050 1/20 0.30
HTT P42858 1/20 0.30

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
SCHEMBL23768004 0.94 PRKDC (0.31) PRKDC
SCHEMBL23767941 0.94 PRKDC (0.31) PRKDCMAPTKDM4EALDH1A1HSD17B10
SCHEMBL23767817 0.87 MAPT (0.32) PRKDCMAPTKDM4EALDH1A1HSD17B10
SCHEMBL23767819 0.87 PRKDC (0.31) PRKDCMAPTKDM4EALDH1A1HSD17B10
SCHEMBL23767818 0.87 PRKDC (0.31) PRKDCMAPTKDM4EALDH1A1HSD17B10
SCHEMBL23768042 0.87 MAPT (0.30) MAPTMAPK1
SCHEMBL23768048 0.87 AHR (0.33) PRKDCMAPTKDM4EALDH1A1HPGD
SCHEMBL23768041 0.85 PDE3B (0.33)
SCHEMBL23767898 0.85 MEN1 (0.31) MAPTALDH1A1HPGDMEN1HTT
SCHEMBL23767896 0.84 TMEM97 (0.33) PRKDCMAPTKDM4EALDH1A1HPGD

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 1574/4885MAPT 322/4885KDM4E 4221/4885

“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.