SCHEMBL4330802

SCHEMBL4330802

COc1ccc(C(O)(c2ccc(OC)cc2)[C@H](NC(=O)CC(=O)N[C@H](c2cccc3ccccc23)C(O)(c2ccc(OC)cc2)c2ccc(OC)cc2)c2cccc3ccccc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
KCNJ11 Q14654 1/20 0.43
POLB P06746 1/20 0.43
MTNR1A P48039 7/20 0.43
MTNR1B P49286 7/20 0.43
HTR2C P28335 5/20 0.43
KDM4E B2RXH2 2/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
PTPN1 P18031 1/20 0.42
MEN1 O00255 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42

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
SCHEMBL4340513 0.91 KMT2A (0.50) KMT2ANPC1RAB9ATDP1L3MBTL1
SCHEMBL808540 0.89 POLB (0.45) KMT2AKCNJ11POLBMTNR1AMTNR1B
SCHEMBL4335644 0.87 KMT2A (0.47) KMT2ANPC1RAB9ATDP1L3MBTL1
SCHEMBL4338111 0.87 MEN1 (0.41) KMT2ANPC1RAB9AKCNJ11MEN1
SCHEMBL4344304 0.86 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1
SCHEMBL808611 0.86 ALDH1A1 (0.45) KMT2AMEN1ALDH1A1
SCHEMBL809352 0.86 KCNJ11 (0.47) KMT2ANPC1RAB9ATDP1L3MBTL1
SCHEMBL809241 0.85 PTPN1 (0.47) KMT2ANPC1RAB9ATDP1L3MBTL1
SCHEMBL808864 0.81 MEN1 (0.47) KMT2ARAB9ATDP1L3MBTL1KDM4E
SCHEMBL4335406 0.81 MEN1 (0.47) KMT2ARAB9ATDP1L3MBTL1KDM4E

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
US-7612236-B2 Method for producing optically active bisamidoalcohol compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-11-03 US disclosed
US-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced SUMITOMO CHEMICAL COMPANY, LIMITED 2007-05-03 US disclosed
EP-1698616-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2006-09-06 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 (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-20070100163-A1 Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced CCNL2, ARL1, ACSL3 KMT2A 1798/4885NPC1 3582/4885RAB9A 1472/4885

“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.