SCHEMBL21703602

SCHEMBL21703602

C=CC[C@](CO)(CCCO)C(=O)OCC

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 4/20 0.63
CYP4A11 Q02928 4/20 0.63
PKM P14618 3/20 0.37
KDM4E B2RXH2 1/20 0.37
THRB P10828 1/20 0.36
HTT P42858 1/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL1361264 0.82 CYP4F2 (0.44) CYP4F2CYP4A11PKMKDM4ETHRB
SCHEMBL4906188 0.81 CYP4F2 (0.74) CYP4F2CYP4A11PKMKDM4ETHRB
SCHEMBL27681347 0.81 CYP4F2 (0.54) CYP4F2CYP4A11PKMKDM4ETHRB
SCHEMBL15070913 0.81 CYP4F2 (0.54) CYP4F2CYP4A11PKMTHRBHTT
SCHEMBL10023943 0.79 CYP4F2 (0.50) CYP4F2CYP4A11PKMKDM4ETHRB
SCHEMBL16150101 0.79 CYP4F2 (0.50) CYP4F2CYP4A11PKMKDM4ETHRB
SCHEMBL23132525 0.78 CYP4F2 (0.42) CYP4F2CYP4A11PKMKDM4ETHRB
SCHEMBL23309172 0.78 CYP4F2 (1.00) CYP4F2CYP4A11PKMKDM4ETHRB
SCHEMBL20988221 0.77 CYP4F2 (0.46) CYP4F2CYP4A11PKMKDM4ETHRB
SCHEMBL21703605 0.77 CYP4F2 (0.46) CYP4F2CYP4A11PKMKDM4ETHRB

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 CYP4F2 815/4885CYP4A11 116/4885PKM 3897/4885
US-10745354-B2 Methods for enantioselective allylic alkylation of esters, lactones, and lactams with unactivated allylic alcohols LSS, COASY, ADH1A CYP4F2 815/4885CYP4A11 116/4885PKM 3897/4885

“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.