SCHEMBL4637532

SCHEMBL4637532

COC(=O)C(I)C(O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.58
MEN1 O00255 3/20 0.47
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SLC6A4 P31645 1/20 0.44
ADRA2C P18825 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA1A P35348 1/20 0.44
RGS12 O14924 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44
CYP2C19 P33261 1/20 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
SCHEMBL5860565 1.00 KMT2A (0.58) KMT2AMEN1LMNAALDH1A1SLC6A4
SCHEMBL27638562 0.82 MMP8 (0.51) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL5861651 0.82 MMP8 (0.51) KMT2AMEN1ALDH1A1TSHRKDM4E
SCHEMBL6874324 0.81 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1SLC6A4
SCHEMBL8571791 0.81 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1SLC6A4
SCHEMBL5789506 0.81 KMT2A (0.62) KMT2AMEN1LMNAALDH1A1SLC6A4
SCHEMBL11073226 0.79 KMT2A (0.60) KMT2AMEN1LMNAALDH1A1SLC6A4
SCHEMBL9683887 0.79 KMT2A (0.60) KMT2AMEN1LMNAALDH1A1SLC6A4
SCHEMBL7556682 0.79 KMT2A (0.64) KMT2AMEN1LMNAALDH1A1SLC6A4
SCHEMBL4639290 0.78 LMNA (0.54) LMNAALDH1A1ADRA2CCYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100400669-C Stereoselective chemoenzymatic process for preparing optically enriched phenylglycidates COUNCIL SCIENT IND RES (IN) 2008-07-09 CN disclosed
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
CN-1759185-A Stereoselective chemoenzymatic process for preparing optically enriched phenylglycidates COUNCIL SCIENT IND RES (IN) 2006-04-12 CN 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 KMT2A 3273/4885MEN1 4523/4885LMNA 2836/4885

“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.