SCHEMBL77791

SCHEMBL77791

CC(C)N(C(=O)O)c1cccc(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.47
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
HDAC8 Q9BY41 5/20 0.42
HTR2C P28335 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC2 Q92769 1/20 0.41
MLYCD O95822 1/20 0.39
CTSL P07711 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
CYP2D6 P10635 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NOTUM Q6P988 1/20 0.38
NPC1 O15118 1/20 0.38
PLA2G1B P04054 1/20 0.38

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
SCHEMBL5260445 0.89 HTR2C (0.41) ACHEHDAC8HTR2CALDH1A1LMNA
SCHEMBL2940747 0.83 HDAC8 (0.48) ACHERXRARXRBHDAC8ALDH1A1
SCHEMBL5262282 0.77 MTNR1A (0.44) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL2850199 0.77 HTR2C (0.47) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL578453 0.77 ALDH1A1 (0.47) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL16934132 0.77 ALDH1A1 (0.47) RXRARXRBHDAC8HTR2CALDH1A1
SCHEMBL3933066 0.77 HTR2C (0.47) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL2543696 0.77 ALDH1A1 (0.63) HTR2CALDH1A1LMNATP53SMN1; SMN2
SCHEMBL25917007 0.75 HDAC8 (0.40) ACHERXRARXRBHDAC8ALDH1A1
SCHEMBL3922657 0.75 MEN1 (0.45) HTR2CALDH1A1LMNATP53SMN1; SMN2

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 ACHE 1/4885RXRA 4238/4885RXRB 4003/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT ACHE 1/4885RXRA 4238/4885RXRB 4003/4885

“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.