SCHEMBL20955901

SCHEMBL20955901

COc1ccc(C=CCC2(C(=O)O)CCCOC2=O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ATM Q13315 1/20 0.41
PTGER4 P35408 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
DYRK1A Q13627 2/20 0.40
DYRK1B Q9Y463 2/20 0.40
GSK3B P49841 2/20 0.40
CLK1 P49759 1/20 0.40
GRIK1 P39086 1/20 0.39
GRIK2 Q13002 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 1/20 0.39
F3 P13726 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
PKM P14618 1/20 0.39
BACE1 P56817 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL20955900 1.00 THRB (0.41) THRBATMPTGER4PTGER3PTGER2
SCHEMBL20955884 0.87 GRIK1 (0.36) ATMGRIK1GRIK2NPC1RAB9A
SCHEMBL20955883 0.87 GRIK1 (0.36) ATMGRIK1GRIK2NPC1RAB9A
SCHEMBL20980064 0.87 MEN1 (0.44) DYRK1ADYRK1BGSK3BCLK1NPC1
SCHEMBL20955879 0.86 PAM (0.40) PTGER4PTGER3PTGER2NPC1RAB9A
SCHEMBL20955880 0.86 PAM (0.40) PTGER4PTGER3PTGER2NPC1RAB9A
SCHEMBL20955878 0.86 PAM (0.40) PTGER4PTGER3PTGER2NPC1RAB9A
SCHEMBL20955866 0.85 GRIK1 (0.36) GRIK1GRIK2NPC1RAB9AMAPT
SCHEMBL20955865 0.85 GRIK1 (0.36) GRIK1GRIK2NPC1RAB9AMAPT
SCHEMBL20955912 0.85 KMT2A (0.36) GRIK1GRIK2MAPTTRPV1ALDH1A1

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 THRB 2608/4885ATM 3188/4885PTGER4 2482/4885
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A THRB 2608/4885ATM 3188/4885PTGER4 2482/4885
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A THRB 2608/4885ATM 3188/4885PTGER4 2482/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A THRB 2608/4885ATM 3188/4885PTGER4 2482/4885

“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.