SCHEMBL77844

SCHEMBL77844

C#CCc1c(NC(=O)O)cccc1C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
POLB P06746 2/20 0.38
GAA P10253 2/20 0.38
THRB P10828 1/20 0.38
ALOX12 P18054 1/20 0.38
LMNA P02545 2/20 0.37
NLRP3 Q96P20 1/20 0.36
CA2 P00918 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB2 P47870 1/20 0.34
RBP4 P02753 1/20 0.34
KDM4E B2RXH2 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RY1 P47900 1/20 0.33
TAS2R14 Q9NYV8 1/20 0.33
LPAR1 Q92633 1/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL1974014 0.79 ALDH1A1 (0.44) ALDH1A1POLBGAATHRBALOX12
SCHEMBL1123535 0.79 MEN1 (0.33) ALDH1A1POLBLMNAKDM4ETDP1
SCHEMBL26661715 0.76 TAS2R14 (0.45) ALDH1A1POLBGAATHRBALOX12
SCHEMBL2093266 0.76 ALDH1A1 (0.58) ALDH1A1POLBGAATHRBALOX12
SCHEMBL3963323 0.75 POLB (0.41) POLBTDP1
SCHEMBL8590878 0.74 MEN1 (0.33) ALDH1A1POLBLMNATDP1KMT2A
SCHEMBL3962321 0.73 POLB (0.42) POLB
SCHEMBL2085952 0.73 TAS2R14 (0.43) ALDH1A1POLBGAATHRBALOX12
SCHEMBL26695392 0.70 ALDH1A1 (0.46) ALDH1A1POLBGAATHRBALOX12
SCHEMBL4525615 0.69 WNT3A (0.44) KMT2AP2RY1MEN1

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 960/4885POLB 3122/4885GAA 1339/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ALDH1A1 960/4885POLB 3122/4885GAA 1339/4885

“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.