SCHEMBL4334561

SCHEMBL4334561

Cc1ccc(C(O)(c2ccc(C)cc2)[C@H](NC(=O)C(=O)N[C@H](C(C)C)C(O)(c2ccc(C)cc2)c2ccc(C)cc2)C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPT P10636 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 2/20 0.37
GAA P10253 1/20 0.37
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LMNA P02545 1/20 0.35
MMP13 P45452 1/20 0.34
MLYCD O95822 1/20 0.34
KEAP1 Q14145 1/20 0.34
NFE2L2 Q16236 1/20 0.34
KIF11 P52732 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
SCHEMBL4342118 0.87 HPGD (0.41) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4341552 0.85 NPC1 (0.38) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4345728 0.84 ALDH1A1 (0.42) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL4338618 0.82 HPGD (0.41) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4349564 0.82 PLK1 (0.45) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1152998 0.82 HPGD (0.34) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1153128 0.79 CASP1 (0.35) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1153385 0.79 KEAP1 (0.34) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4344281 0.79 NPC1 (0.41) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1153231 0.78 MEN1 (0.34) HPGDSMN1; SMN2MEN1KMT2AMAPT

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 HPGD 4281/4885SMN1; SMN2 4102/4885MEN1 1168/4885

“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.