SCHEMBL4342118

SCHEMBL4342118

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

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
USP2 O75604 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 4/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NLRP1 Q9C000 1/20 0.35
ALPL P05186 1/20 0.35
PTBP1 P26599 1/20 0.35

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
SCHEMBL4334561 0.87 HPGD (0.39) HPGDMAPTNPC1RAB9AKMT2A
SCHEMBL4337880 0.85 CYP2D6 (0.44) HPGDMAPTNPC1RAB9AL3MBTL1
SCHEMBL4336644 0.83 POLB (0.43) HPGDPOLBMAPTNPC1RAB9A
SCHEMBL4342085 0.83 ALDH1A1 (0.44) HPGDMAPTKMT2AALDH1A1LMNA
SCHEMBL4341552 0.83 NPC1 (0.38) HPGDMAPTNPC1RAB9AKMT2A
SCHEMBL4335656 0.81 NPC1 (0.42) HPGDPOLBMAPTNPC1RAB9A
SCHEMBL4338626 0.79 HPGD (0.40) HPGDPOLBMAPTNPC1RAB9A
SCHEMBL1152998 0.79 HPGD (0.34) HPGDPOLBMAPTNPC1RAB9A
SCHEMBL1153128 0.77 CASP1 (0.35) HPGDPOLBMAPTNPC1RAB9A
SCHEMBL1153385 0.77 KEAP1 (0.34) HPGDPOLBMAPTNPC1RAB9A

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 4281/4885POLB 1550/4885MAPT 1516/4885

“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.