SCHEMBL12412508

SCHEMBL12412508

COc1cc(OC)cc(C(C#N)O[Si](C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.39
GAA P10253 2/20 0.33
PDE4A P27815 3/20 0.33
PDE4B Q07343 3/20 0.33
PDE4C Q08493 3/20 0.33
PDE4D Q08499 3/20 0.33
CYP1A1 P04798 3/20 0.32
CYP1B1 Q16678 3/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 2/20 0.31
NQO2 P16083 1/20 0.31
NPC1 O15118 1/20 0.31
PKM P14618 1/20 0.31
RAB9A P51151 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 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
SCHEMBL2610137 0.83 L3MBTL1 (0.42) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL1789913 0.82 ALDH1A1 (0.47) ALDH1A1GAALMNAHTTNPC1
SCHEMBL5317124 0.82 ALDH1A1 (0.47) ALDH1A1GAALMNAHTTNPC1
SCHEMBL9777731 0.79 KDM4E (0.42) ALDH1A1PDE4APDE4BPDE4CPDE4D
SCHEMBL28398612 0.75 ALDH1A1 (0.39) ALDH1A1GAAPDE4APDE4BPDE4C
SCHEMBL13111217 0.72 MEN1 (0.31) LMNARAB9A
SCHEMBL30536243 0.72 ALDH1A1 (0.39) ALDH1A1GAALMNAHTTPKM
SCHEMBL2610138 0.72 TRPA1 (0.42) ALDH1A1GAAHTTNPC1RAB9A
SCHEMBL3295316 0.72 TRPA1 (0.42) ALDH1A1GAAHTTNPC1RAB9A
SCHEMBL7932437 0.71 ALDH1A1 (0.33) ALDH1A1GAALMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160136286-A1 DRUG DELIVERY COMPOSITION THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-05-19 US disclosed
US-20160136286-A1 DRUG DELIVERY COMPOSITION THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-05-19 US disclosed
US-9271928-B2 Drug delivery composition THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-03-01 US disclosed
US-9271928-B2 Drug delivery composition THE QUEEN'S UNIVERSITY OF BELFAST (GB) 2016-03-01 US disclosed
US-20110165114-A1 DRUG DELIVERY COMPOSITION QUEEN'S UNIVERSITY OF BELFAST, THE (GB) 2011-07-07 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 (2 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-20110165114-A1 DRUG DELIVERY COMPOSITION ECPAS, ABCB11, ABCB1 ALDH1A1 1965/4885GAA 3879/4885PDE4A 2551/4885
US-20160136286-A1 DRUG DELIVERY COMPOSITION ECPAS, ABCB11, ABCB1 ALDH1A1 1965/4885GAA 3879/4885PDE4A 2551/4885

“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.