SCHEMBL20955871

SCHEMBL20955871

C=CC[C@@]1(C(=O)O)CCCNC1=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
KMT2A Q03164 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2A Q12879 1/20 0.31

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
SCHEMBL20955872 1.00 MEN1 (0.31) MEN1ALDH1A1POLBKMT2AGRIN1
SCHEMBL20980165 0.80 POLB (0.41) MEN1POLBKMT2A
SCHEMBL23388889 0.78 GRIN1 (0.34) MEN1POLBKMT2AGRIN1GRIN2A
SCHEMBL9254411 0.75 MEN1 (0.33) MEN1ALDH1A1POLBKMT2A
SCHEMBL9800283 0.74 GRIN1 (0.33) POLBGRIN1GRIN2A
SCHEMBL10818983 0.73 MEN1 (0.35) MEN1ALDH1A1POLBKMT2A
SCHEMBL29281624 0.73 MEN1 (0.35) MEN1ALDH1A1POLBKMT2A
SCHEMBL10817404 0.72 MEN1 (0.38) MEN1ALDH1A1POLBKMT2A
SCHEMBL14378009 0.71 MMP9 (0.32) GRIN1GRIN2A
SCHEMBL14378098 0.71 GRIN1 (0.34) GRIN1GRIN2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3480190-B1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INST OF TECHN (US) 2023-01-04 EP disclosed
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2020-08-18 US disclosed
US-20200048201-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2020-02-13 US disclosed
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2019-07-23 US disclosed
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS CALIFORNIA INSTITUTE OF TECHNOLOGY 2019-05-09 US disclosed
EP-3480190-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS California Institute of Technology (US) 2019-05-08 EP 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 (4 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-20200048201-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A MEN1 273/4885ALDH1A1 265/4885POLB 2421/4885
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A MEN1 273/4885ALDH1A1 265/4885POLB 2421/4885
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A MEN1 273/4885ALDH1A1 265/4885POLB 2421/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A MEN1 273/4885ALDH1A1 265/4885POLB 2421/4885

“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.