SCHEMBL79322

SCHEMBL79322

CCC(CC)COc1ccccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.53
LMNA P02545 2/20 0.53
JAK2 O60674 1/20 0.53
MAPT P10636 1/20 0.53
NFKB1 P19838 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
TSHR P16473 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
TP53 P04637 1/20 0.47
APP P05067 1/20 0.43
ALDH1A1 P00352 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
ALOX15 P16050 1/20 0.40
KDM4E B2RXH2 1/20 0.40
AGTR1 P30556 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL4601557 0.87 LMNA (0.58) GAALMNAJAK2MAPTNFKB1
SCHEMBL30122823 0.87 LMNA (0.58) GAALMNAJAK2MAPTNFKB1
SCHEMBL8912307 0.83 GAA (0.52) GAALMNAJAK2MAPTTSHR
SCHEMBL14181121 0.83 LMNA (0.52) GAALMNAJAK2MAPTTSHR
SCHEMBL8912301 0.83 GAA (0.52) GAALMNAJAK2MAPTTSHR
SCHEMBL77820 0.80 GAA (0.57) GAALMNAJAK2MAPTNFKB1
SCHEMBL9437435 0.80 PRSS1 (0.47) GAALMNAJAK2MAPTTSHR
SCHEMBL6698929 0.78 LMNA (0.57) GAALMNAJAK2MAPTTSHR
SCHEMBL29625318 0.78 LMNA (0.57) GAALMNAJAK2MAPTTSHR
SCHEMBL10285685 0.78 KDM4E (0.58) LMNAMAPTALDH1A1ALOX15KDM4E

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-8618162-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2013-12-31 US disclosed
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2012-05-17 US disclosed
US-8129428-B2 Insecticidal carbamates exhibiting species-selective inhibition of acetylcholinesterase (AChE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2012-03-06 US disclosed
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO disclosed
US-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) VIRGINIA POLYTECHNIC INSTITUTE AND STATE UNIVERSITY 2009-03-12 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-20090068242-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT GAA 1339/4885LMNA 3635/4885JAK2 4883/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT GAA 1339/4885LMNA 3635/4885JAK2 4883/4885

“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.