SCHEMBL4637571

SCHEMBL4637571

CC(=O)O[C@@H](c1ccccc1)[C@](C)(I)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.35
HCAR2 Q8TDS4 1/20 0.35
HTT P42858 1/20 0.35
CYP19A1 P11511 2/20 0.35
PGR P06401 1/20 0.35
PTGS1 P23219 1/20 0.35
PDE4A P27815 1/20 0.35
CYP2D6 P10635 1/20 0.34

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
SCHEMBL9607539 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4ATML3MBTL1PABPC1
SCHEMBL6623395 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4ATML3MBTL1PABPC1
SCHEMBL9607535 0.82 ALDH1A1 (0.51) ALDH1A1CYP3A4ATML3MBTL1PABPC1
SCHEMBL24361487 0.78 ALDH1A1 (0.47) ALDH1A1CYP3A4PABPC1APOBEC3AAPOBEC3G
SCHEMBL111839 0.77 CYP3A4 (0.50) ALDH1A1CYP3A4ATML3MBTL1PABPC1
SCHEMBL30379161 0.77 CYP3A4 (0.50) ALDH1A1CYP3A4ATML3MBTL1PABPC1
SCHEMBL27282374 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4ATML3MBTL1PABPC1
SCHEMBL14064156 0.77 ALDH1A1 (0.46) ALDH1A1CYP3A4ATML3MBTL1PABPC1
SCHEMBL3207653 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4PABPC1APOBEC3AAPOBEC3G
SCHEMBL3760203 0.75 ALDH1A1 (0.47) ALDH1A1CYP3A4PABPC1APOBEC3AAPOBEC3G

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1601778-B1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL SCIENT IND RES (IN) 2008-07-02 EP disclosed
US-7060471-B2 Stereoselective chemoenzymatic process for the preparation of optically enriched phenylglycidates as precursors of taxol side chain COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2006-06-13 US disclosed
EP-1601778-A1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES Council of Scientific and Industrial Research (IN) 2005-12-07 EP disclosed
US-20040259943-A1 Stereoselective chemoenzymatic process for the preparation of optically enriched phenylglycidates as precursors of taxol side chain COUNCIL OF SCIENTIFIC AND INDUSTRIAL (IN) 2004-12-23 US disclosed
WO-2004081219-A1 STEREOSELECTIVE CHEMOENZYMATIC PROCESS FOR PREPARING OPTICALLY ENRICHED PHENYLGLYCIDATES COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2004-09-23 WO 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 (1 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-20040259943-A1 Stereoselective chemoenzymatic process for the preparation of optically enriched phenylglycidates as precursors of taxol side chain GMDS, GPI, B3GAT3 ALDH1A1 438/4885CYP3A4 106/4885ATM 2809/4885

“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.