SCHEMBL77546

SCHEMBL77546

Oc1ccccc1SCC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
ALDH1A1 P00352 2/20 0.40
NPC1 O15118 4/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDE7A Q13946 2/20 0.39
HPGD P15428 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSTP1 P09211 1/20 0.37
GSTM2 P28161 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CTSB P07858 2/20 0.36

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
SCHEMBL80348 0.98 ALDH1A1 (0.43) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL5744003 0.92 CRBN (0.38) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23409758 0.82 NAMPT (0.36) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL23409781 0.78 NAMPT (0.34) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL22813728 0.78 METAP2 (0.46) KMT2AALDH1A1PDE7AHSD17B10GSTP1
SCHEMBL3890217 0.75 RAB9A (0.44) KMT2ANPC1RAB9ASMN1; SMN2LMNA
SCHEMBL23409856 0.74 DDB1 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL1722347 0.73 NPC1 (0.33) NPC1RAB9ASMN1; SMN2LMNATP53
SCHEMBL6940601 0.72 ALDH1A1 (0.51) KMT2AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8397211 0.71 LMNA (0.45) KMT2AALDH1A1NPC1RAB9ASMN1; 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 5 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
WO-2009036235-A2 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (ACHE) VIRGINIA TECH INTELLECTUAL PROPERTIES, INC. (US) 2009-03-19 WO 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 KMT2A 309/4885ALDH1A1 960/4885NPC1 953/4885
US-20120122970-A1 INSECTICIDAL CARBAMATES EXHIBITING SPECIES-SELECTIVE INHIBITION OF ACETYLCHOLINESTERASE (AChE) ACHE, BCHE, CHAT KMT2A 309/4885ALDH1A1 960/4885NPC1 953/4885

“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.