SCHEMBL20955865

SCHEMBL20955865

O=C(O)[C@]1(C/C=C/c2ccc(Cl)cc2)CCCOC1=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36
GRIK3 Q13003 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP1A2 P05177 1/20 0.35
EBP Q15125 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MAPT P10636 3/20 0.33
MAOB P27338 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNA3 P22001 1/20 0.33
MAOA P21397 1/20 0.33
CXCL12 P48061 1/20 0.33
KMT2A Q03164 1/20 0.32
DHCR7 Q9UBM7 1/20 0.32
DRD2 P14416 2/20 0.32

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
SCHEMBL20955866 1.00 GRIK1 (0.36) GRIK1GRIK2GRIK3TRPV1NPC1
SCHEMBL20955878 0.89 PAM (0.40) NPC1RAB9AMAPTMAOBALDH1A1
SCHEMBL20955880 0.89 PAM (0.40) NPC1RAB9AMAPTMAOBALDH1A1
SCHEMBL20955879 0.89 PAM (0.40) NPC1RAB9AMAPTMAOBALDH1A1
SCHEMBL20955912 0.88 KMT2A (0.36) GRIK1GRIK2TRPV1MAPTMAOB
SCHEMBL20955884 0.88 GRIK1 (0.36) GRIK1GRIK2TRPV1NPC1RAB9A
SCHEMBL20955883 0.88 GRIK1 (0.36) GRIK1GRIK2TRPV1NPC1RAB9A
SCHEMBL20955914 0.88 KMT2A (0.36) GRIK1GRIK2TRPV1MAPTMAOB
SCHEMBL20955901 0.85 THRB (0.41) GRIK1GRIK2TRPV1NPC1RAB9A
SCHEMBL20955900 0.85 THRB (0.41) GRIK1GRIK2TRPV1NPC1RAB9A

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 GRIK1 1248/4885GRIK2 1455/4885GRIK3 1614/4885
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A GRIK1 1248/4885GRIK2 1455/4885GRIK3 1614/4885
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A GRIK1 1248/4885GRIK2 1455/4885GRIK3 1614/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A GRIK1 1248/4885GRIK2 1455/4885GRIK3 1614/4885

“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.