SCHEMBL77836

SCHEMBL77836

CN(C(=O)O)c1ccccc1SCC1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PKM P14618 1/20 0.37
LIPE Q05469 1/20 0.36
EPHX2 P34913 1/20 0.35
ATM Q13315 1/20 0.35
CTSB P07858 1/20 0.35
PDE7A Q13946 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPY2R P49146 2/20 0.35
MAPT P10636 1/20 0.35
SLC18A3 Q16572 1/20 0.35
KDM6B O15054 1/20 0.34
KDM4A O75164 1/20 0.34
KDM4D Q6B0I6 1/20 0.34
KDM3B Q7LBC6 1/20 0.34
HIF1AN Q9NWT6 1/20 0.34

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
SCHEMBL77959 0.99 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1LMNANPSR1
SCHEMBL79891 0.75 FAAH (0.44) LMNA
SCHEMBL11343622 0.75 KMT2A (0.37) ALDH1A1KMT2AMEN1NPSR1NPY2R
SCHEMBL78628 0.75 NPY2R (0.52) ALDH1A1KMT2AMEN1NPY2R
SCHEMBL78860 0.74 FAAH (0.46) LMNA
SCHEMBL80086 0.74 MTNR1A (0.42) KMT2AMEN1NPY2R
SCHEMBL78291 0.74 RIPK1 (0.36) ALDH1A1KMT2AMEN1NPSR1PDE7A
SCHEMBL78113 0.72 TSHR (0.48) ALDH1A1KMT2AMEN1LMNAATM
SCHEMBL78353 0.72 ALDH1A1 (0.40) ALDH1A1KMT2A
SCHEMBL11301510 0.72 PTGS2 (0.51) ALDH1A1KMT2ALMNANPY2RMAPT

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 ALDH1A1 960/4885KMT2A 309/4885MEN1 862/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ALDH1A1 960/4885KMT2A 309/4885MEN1 862/4885

“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.