SCHEMBL10014841

SCHEMBL10014841

CCCCCCCCCCC(C)NC(C)=N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.47
ADH1C P00326 1/20 0.47
ADH1A P07327 1/20 0.47
ADH4 P08319 1/20 0.47
ADH7 P40394 1/20 0.47
SPHK1 Q9NYA1 1/20 0.41
LMNA P02545 1/20 0.40
MLYCD O95822 1/20 0.40
FAAH O00519 2/20 0.38
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
OPRM1 P35372 1/20 0.38
ACE2 Q9BYF1 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
TAS1R2 Q8TE23 1/20 0.37
GPR84 Q9NQS5 3/20 0.36
FDPS P14324 3/20 0.36
FFAR1 O14842 1/20 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
SCHEMBL13725523 0.83 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL1068405 0.83 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL13587256 0.83 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL22071846 0.82
Hydrochloric Acid SCHEMBL6273268 0.82 ADH1B (0.46) ADH1BADH1CADH1AADH4ADH7
Acetic Acid SCHEMBL11044644 0.80 ADH1B (0.44) ADH1BADH1CADH1AADH4ADH7
SCHEMBL7217246 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL15177342 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7
SCHEMBL21078247 0.79 ADH1B (0.47) ADH1BADH1CADH1AADH4ADH7
SCHEMBL2483687 0.79 ADH1B (0.52) ADH1BADH1CADH1AADH4ADH7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853126-B2 Agents for controlling plant pests BAYER AKTIENGESELLSCHAFT (DE) 2014-10-07 US disclosed
US-20120165374-A1 AGENTS FOR CONTROLLING PLANT PESTS BAYER CROPSCIENCE AG (DE) 2012-06-28 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 (1 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-20120165374-A1 AGENTS FOR CONTROLLING PLANT PESTS DDT, ACHE, ERG28 ADH1B 3788/4885ADH1C 1473/4885ADH1A 2836/4885

“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.