SCHEMBL4637646

SCHEMBL4637646

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.54
CYP2D6 P10635 1/20 0.50
SRC P12931 1/20 0.50
ALDH1A1 P00352 2/20 0.45
ADRA2A P08913 1/20 0.45
ADRA2C P18825 1/20 0.45
HIF1A Q16665 1/20 0.45
KDM4E B2RXH2 1/20 0.45
AOC3 Q16853 4/20 0.44

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
SCHEMBL4639290 1.00 LMNA (0.54) LMNAMAPK1CYP2D6SRCALDH1A1
SCHEMBL9450740 0.79 SRC (0.52) LMNAMAPK1CYP2D6SRC
SCHEMBL4637532 0.78 KMT2A (0.58) LMNACYP2D6ALDH1A1ADRA2AADRA2C
SCHEMBL5860565 0.78 KMT2A (0.58) LMNACYP2D6ALDH1A1ADRA2AADRA2C
SCHEMBL3805251 0.76 LMNA (0.58) LMNAMAPK1CYP2D6SRCALDH1A1
SCHEMBL3192877 0.76 LMNA (0.58) LMNAMAPK1CYP2D6SRCALDH1A1
SCHEMBL6560616 0.76 LMNA (0.58) LMNAMAPK1CYP2D6SRCALDH1A1
SCHEMBL6752658 0.76 LMNA (0.58) LMNAMAPK1CYP2D6SRCALDH1A1
SCHEMBL4608564 0.75 LMNA (0.52) LMNAMAPK1CYP2D6ALDH1A1ADRA2A
SCHEMBL27638562 0.75 MMP8 (0.51) MAPK1ALDH1A1KDM4E

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 4 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
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 LMNA 2836/4885MAPK1 1838/4885CYP2D6 61/4885

“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.