SCHEMBL13722862

SCHEMBL13722862

C[Si](C)(C)OP(=O)(CCCN1c2ccccc2Sc2ccccc21)O[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.50
SIGMAR1 Q99720 3/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2D6 P10635 2/20 0.50
SLC22A1 O15245 1/20 0.50
PRNP P04156 1/20 0.50
TP53 P04637 1/20 0.50
ADRB2 P07550 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
TSHR P16473 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CHRM3 P20309 1/20 0.50
DRD1 P21728 1/20 0.50

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
SCHEMBL13722393 0.82 KDM1A (0.51) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1
SCHEMBL13722237 0.78 MAPT (0.56) KDM1ATSHRLMNAALDH1A1MAPT
SCHEMBL12905409 0.77 PIM1 (0.57) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1
SCHEMBL20215770 0.77 KDM1A (0.56) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1
SCHEMBL27236433 0.73 KDM1A (0.49) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1
SCHEMBL208025 0.72 PIM1 (0.79) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1
SCHEMBL7998997 0.71 KDM1A (0.73) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1
SCHEMBL30628542 0.71 KDM1A (0.73) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1
SCHEMBL31302974 0.71 KDM1A (0.73) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1
SCHEMBL13722046 0.70 PIM1 (0.53) KDM1ASIGMAR1CYP1A2CYP2D6SLC22A1

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-7576201-B2 Electrochromic compound NTERA LIMITED (IE) 2009-08-18 US disclosed
US-20080167465-A1 Electrochromic compound FITZMAURICE DONALD 2008-07-10 US disclosed
US-7358358-B2 Electrochromic compound NTERA LIMITED (IE) 2008-04-15 US disclosed
US-7253940-B2 Nanoporous and nanocrystalline film and electrochromic device UNIVERSITY COLLEGE DUBLIN, A CONSTITUENT COLLEGE OF THE NATIONAL UNIVERSITY OF IRELAND (IE) 2007-08-07 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-20080167465-A1 Electrochromic compound KCNH2, PRDM9, H1-10 KDM1A 217/4885SIGMAR1 2683/4885CYP1A2 537/4885

“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.