SCHEMBL743788

SCHEMBL743788

CC(C)(C)[Si](C)(C)OCCCCCCCCCCCCc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
HRH1 P35367 2/20 0.53
TBXAS1 P24557 7/20 0.48
CYP2A6 P11509 1/20 0.47
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CHRNA7 P36544 2/20 0.43
PTAFR P25105 2/20 0.43
HRH4 Q9H3N8 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL742307 1.00 L3MBTL1 (0.54) L3MBTL1TDP1HRH1TBXAS1CYP2A6
SCHEMBL8662158 0.99 L3MBTL1 (0.55) L3MBTL1TDP1HRH1TBXAS1CYP2A6
SCHEMBL17760802 0.83 IDO1 (0.46) L3MBTL1TDP1
SCHEMBL6558611 0.83 IDO1 (0.46) L3MBTL1TDP1
SCHEMBL16307320 0.83 IDO1 (0.46) L3MBTL1TDP1
SCHEMBL16784080 0.83 IDO1 (0.46) L3MBTL1TDP1
SCHEMBL4957807 0.82 HRH1 (0.47) HRH1NPC1RAB9AHRH4HRH3
SCHEMBL17398452 0.82 IDO1 (0.47) L3MBTL1TDP1
SCHEMBL2092004 0.79 TDP1 (0.64) L3MBTL1TDP1HRH1TBXAS1CYP2A6
SCHEMBL5398670 0.79 CHRNB2 (0.44) L3MBTL1TDP1CYP2A6NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-05-17 US disclosed
US-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2012-05-17 US disclosed
EP-2430074-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF University Court Of The University Of Aberdeen (GB) 2012-03-21 EP disclosed
WO-2010086652-A1 DI-SUBSTITUTED PYRIDINIUM POLYMERS AND SYNTHESIS THEREOF UNIVERSITY COURT OF THE UNIVERSITY OF ABERDEEN (GB) 2010-08-05 WO 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-20120123113-A1 DI-SUBSTITUTED PYRIDINUM POLYMERS AND SYNTHESIS THEREOF PDXK, RAD54L, CDKL5 L3MBTL1 4246/4885TDP1 3812/4885HRH1 281/4885

“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.