SCHEMBL23767896

SCHEMBL23767896

C1=CC(=[N+]2CCOCC2)C=C2C1=Nc1ccc(N3CCOCC3)cc1[Si]2(c1ccccc1)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 3/20 0.33
SIGMAR1 Q99720 3/20 0.33
ADRA2A P08913 2/20 0.33
ADRA2B P18089 2/20 0.33
PRKDC P78527 2/20 0.33
PIK3CD O00329 2/20 0.33
PIK3CA P42336 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
ADRA2C P18825 1/20 0.33
LMNA P02545 2/20 0.33
MAPT P10636 5/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
AHR P35869 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 2/20 0.31

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
SCHEMBL23767897 0.94 TMEM97 (0.32) TMEM97SIGMAR1ADRA2AADRA2BPRKDC
SCHEMBL23767947 0.94
SCHEMBL23768048 0.89 AHR (0.33) TMEM97SIGMAR1ADRA2AADRA2BPRKDC
SCHEMBL23767952 0.87 PDE3B (0.31)
SCHEMBL23767986 0.85 TDO2 (0.37) TMEM97SIGMAR1ADRA2AADRA2BPRKDC
SCHEMBL23767943 0.84 PRKDC (0.33) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL23767946 0.84 PRKDC (0.32) TMEM97SIGMAR1ADRA2AADRA2BPRKDC
SCHEMBL23768008 0.84 PRKDC (0.30) PRKDC
SCHEMBL23767817 0.82 MAPT (0.32) PRKDCLMNAMAPTKDM4EALDH1A1
SCHEMBL23767797 0.82

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 TMEM97 2670/4885SIGMAR1 1848/4885ADRA2A 4234/4885

“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.