SCHEMBL20955859

SCHEMBL20955859

CCOC(=O)C1CCCN(C(=O)c2ccccc2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
ALDH1A1 P00352 7/20 0.52
SMN1; SMN2 Q16637 3/20 0.48
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.45
HPGD P15428 2/20 0.45
NPC1 O15118 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 1/20 0.45
CYP2C19 P33261 1/20 0.45
HTT P42858 1/20 0.44
PKM P14618 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL20955875 0.86 ALDH1A1 (0.56) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14378104 0.84 ALDH1A1 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL7456455 0.80 MEN1 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL14345645 0.78 MEN1 (0.59) MEN1KMT2AALDH1A1HSD17B10NPC1
Hydrochloric Acid SCHEMBL10813366 0.77 MEN1 (0.58) MEN1KMT2AALDH1A1HSD17B10NPC1
SCHEMBL15325159 0.76 MEN1 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21001982 0.76 ALDH1A1 (0.62) ALDH1A1SMN1; SMN2HSD17B10HPGDTSHR
SCHEMBL12988948 0.75 TLR4 (0.42) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10
SCHEMBL21715104 0.75 ALDH1A1 (0.63) MEN1KMT2AALDH1A1NPSR1L3MBTL1
SCHEMBL20955890 0.74 MAPT (0.43) MEN1KMT2AALDH1A1SMN1; SMN2HSD17B10

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 10 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-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-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-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
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 273/4885KMT2A 1584/4885ALDH1A1 265/4885
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A MEN1 273/4885KMT2A 1584/4885ALDH1A1 265/4885
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A MEN1 273/4885KMT2A 1584/4885ALDH1A1 265/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A MEN1 273/4885KMT2A 1584/4885ALDH1A1 265/4885

“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.