SCHEMBL78113

SCHEMBL78113

CC(C)=CCSc1ccccc1N(C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ICMT O60725 1/20 0.48
GMNN O75496 1/20 0.48
TRPA1 O75762 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
NFKB1 P19838 1/20 0.48
CDK2 P24941 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
NPY2R P49146 2/20 0.36
HDAC1 Q13547 2/20 0.35
MTNR1A P48039 3/20 0.35
MTNR1B P49286 3/20 0.35

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
SCHEMBL80587 0.85 NPY2R (0.36) TSHRICMTGMNNTRPA1LMNA
SCHEMBL79837 0.84 KMT2A (0.38) TSHRICMTGMNNTRPA1LMNA
SCHEMBL79839 0.84 KMT2A (0.38) TSHRICMTGMNNTRPA1LMNA
SCHEMBL11343622 0.81 KMT2A (0.37) TSHRCYP1A2POLBMAPTNPY2R
SCHEMBL78353 0.79 ALDH1A1 (0.40) CYP1A2POLBHSD17B10MTNR1AMTNR1B
SCHEMBL78628 0.78 NPY2R (0.52) POLBNPY2RKMT2AL3MBTL1MEN1
SCHEMBL78291 0.77 RIPK1 (0.36) NPY2RMTNR1AMTNR1BTSPOKMT2A
SCHEMBL80086 0.77 MTNR1A (0.42) NPY2RMTNR1AMTNR1BKMT2AMEN1
SCHEMBL11301510 0.76 PTGS2 (0.51) TSHRLMNACYP1A2CYP3A4MAPT
SCHEMBL27413399 0.75 HTT (0.40) TSHRLMNACYP1A2POLBCYP3A4

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 TSHR 1442/4885ICMT 581/4885GMNN 1481/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT TSHR 1442/4885ICMT 581/4885GMNN 1481/4885

“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.