SCHEMBL78860

SCHEMBL78860

CN(C(=O)O)c1ccccc1OCC1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
PARP15 Q460N3 2/20 0.42
PARP10 Q53GL7 2/20 0.42
HPGD P15428 1/20 0.41
CYP19A1 P11511 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
SRC P12931 1/20 0.41
LMNA P02545 1/20 0.41
TSPO P30536 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
SCHEMBL79891 0.99 FAAH (0.44) FAAHCNR1CNR2NFKB1NFKB2
SCHEMBL15058001 0.76 RIPK1 (0.50) CNR1CNR2TSPO
SCHEMBL77959 0.76 ALDH1A1 (0.43) LMNA
SCHEMBL1388095 0.76 FAAH (0.60) FAAHCNR1CNR2PARP15PARP10
SCHEMBL15053708 0.75 SCN4A (0.51) FAAHCNR1CNR2
SCHEMBL77836 0.74 ALDH1A1 (0.41) LMNA
SCHEMBL29055574 0.74 FAAH (0.57) FAAHCNR1CNR2PARP15PARP10
SCHEMBL8602506 0.74 TDP1 (0.51) LMNATSPO
SCHEMBL77598 0.73 TSPO (0.45) NFKB1NFKB2RELATSPO
SCHEMBL6769322 0.72 ALDH1A1 (0.64) FAAHCNR1CNR2PARP15PARP10

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-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
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 FAAH 262/4885CNR1 714/4885CNR2 904/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT FAAH 262/4885CNR1 714/4885CNR2 904/4885

“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.