SCHEMBL17758682

SCHEMBL17758682

CC(=O)CC/C=C/CN(C)C

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CHRM1 P11229 1/20 0.38
PAOX Q6QHF9 1/20 0.33
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
FFAR1 O14842 1/20 0.33
MAPT P10636 1/20 0.33
CYP19A1 P11511 1/20 0.33
RXRA P19793 1/20 0.33
PPARG P37231 1/20 0.33
OXER1 Q8TDS5 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
SCHEMBL23140183 0.87 PAOX (0.39) ALDH1A1CHRM1PAOXLMNAMAPT
SCHEMBL11009265 0.83 ALDH1A1 (0.56) ALDH1A1CHRM1PAOXLMNASLC15A2
SCHEMBL11009268 0.83 ALDH1A1 (0.56) ALDH1A1CHRM1PAOXLMNASLC15A2
SCHEMBL17754227 0.77 KDM4E (0.33) ALDH1A1FFAR1MAPTCYP19A1RXRA
SCHEMBL9498152 0.75 ALDH1A1 (0.47) ALDH1A1CHRM1LMNAFFAR1MAPT
SCHEMBL9498159 0.75 ALDH1A1 (0.47) ALDH1A1CHRM1LMNAFFAR1MAPT
SCHEMBL23140064 0.74 ALDH1A1 (0.42) ALDH1A1CHRM1PAOXLMNASLC15A2
SCHEMBL1650009 0.73 ALDH1A1 (0.45) ALDH1A1PAOXLMNASLC15A2FFAR1
SCHEMBL1784552 0.73 ALDH1A1 (0.45) ALDH1A1CHRM1LMNAFFAR1MAPT
SCHEMBL1784553 0.73 ALDH1A1 (0.45) ALDH1A1CHRM1LMNAFFAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith Gatekeeper Pharmaceuticals, Inc. 2016-05-19 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-20160137610-A1 Compounds that Modulate EGFR Activity and Methods for Treating or Preventing Conditions Therewith EGFR, ERBB2, BRCA1 ALDH1A1 2351/4885CHRM1 4560/4885PAOX 2399/4885

“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.