SCHEMBL20955879

SCHEMBL20955879

O=C(O)[C@]1(CC=Cc2ccccc2)CCCOC1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.40
ALDH1A1 P00352 6/20 0.37
MAPT P10636 4/20 0.37
MEN1 O00255 4/20 0.37
RAB9A P51151 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 3/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
MAOB P27338 1/20 0.35
JAK2 O60674 1/20 0.34
HTT P42858 1/20 0.34
HAO1 Q9UJM8 1/20 0.34
POLB P06746 2/20 0.34
HSD17B10 Q99714 1/20 0.33
MCHR1 Q99705 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
SCHEMBL20955878 1.00 PAM (0.40) PAMALDH1A1MAPTMEN1RAB9A
SCHEMBL20955880 1.00 PAM (0.40) PAMALDH1A1MAPTMEN1RAB9A
SCHEMBL20955868 0.91 ALDH1A1 (0.35) PAMALDH1A1MAPTMEN1RAB9A
SCHEMBL20955867 0.91 ALDH1A1 (0.35) PAMALDH1A1MAPTMEN1RAB9A
SCHEMBL20955912 0.89 KMT2A (0.36) ALDH1A1MAPTKMT2ALMNAHPGD
SCHEMBL20955884 0.89 GRIK1 (0.36) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL20955883 0.89 GRIK1 (0.36) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL20955865 0.89 GRIK1 (0.36) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL20955866 0.89 GRIK1 (0.36) ALDH1A1MAPTRAB9AKMT2ANPC1
SCHEMBL20955914 0.89 KMT2A (0.36) ALDH1A1MAPTKMT2ALMNAHPGD

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 PAM 528/4885ALDH1A1 265/4885MAPT 4392/4885
US-20190135754-A1 METHODS FOR ENANTIOSELECTIVE ALLYLIC ALKYLATION OF ESTERS, LACTONES, AND LACTAMS WITH UNACTIVATED ALLYLIC ALCOHOLS LSS, COASY, ADH1A PAM 528/4885ALDH1A1 265/4885MAPT 4392/4885
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A PAM 528/4885ALDH1A1 265/4885MAPT 4392/4885
US-10358422-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A PAM 528/4885ALDH1A1 265/4885MAPT 4392/4885

“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.