SCHEMBL21770728

SCHEMBL21770728

CC(C)N(CCON)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
LTA4H P09960 1/20 0.36
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 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
Hydrochloric Acid SCHEMBL11378063 0.97 MEN1 (0.42) MEN1KMT2ACHRNB2CHRNA4LTA4H
Hydrochloric Acid SCHEMBL11376627 0.82 ADRB2 (0.40) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL9705215 0.77 MEN1 (0.48) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL21770689 0.76
SCHEMBL8767641 0.74 PIK3CD (0.48) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL12918859 0.74 MEN1 (0.46) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL24315326 0.72 MEN1 (0.43) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL21127230 0.72 MEN1 (0.43) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL20257921 0.72 MEN1 (0.43) MEN1KMT2ACHRNB2CHRNA4LTA4H
SCHEMBL16668176 0.72 MEN1 (0.43) MEN1KMT2ACHRNB2CHRNA4LTA4H

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-11827616-B2 Heterocyclic compounds as pesticides DISCOVERY PURCHASER CORPORATION (US) 2023-11-28 US disclosed
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES DISCOVERY PURCHASER CORPORATION 2020-02-27 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-11827616-B2 Heterocyclic compounds as pesticides DDT, CHRM1, ACHE MEN1 724/4885KMT2A 1690/4885CHRNB2 965/4885
US-20200062729-A1 NOVEL HETEROCYCLIC COMPOUNDS AS PESTICIDES CHRM1, DDT, ACHE MEN1 951/4885KMT2A 1757/4885CHRNB2 728/4885

“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.