SCHEMBL4335656

SCHEMBL4335656

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
POLB P06746 1/20 0.41
HPGD P15428 6/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 2/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TSHR P16473 1/20 0.35
ALPL P05186 1/20 0.35
PTBP1 P26599 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KIF11 P52732 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 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
SCHEMBL4344281 0.87 NPC1 (0.41) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL4332569 0.85 CYP2C19 (0.44) MAPTMEN1KMT2AALDH1A1LMNA
SCHEMBL4332799 0.84 NPC1 (0.39) NPC1RAB9AMAPTHPGDSMN1; SMN2
SCHEMBL4349562 0.83 ALDH1A1 (0.47) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4342118 0.81 HPGD (0.41) NPC1RAB9AMAPTPOLBHPGD
SCHEMBL4336644 0.80 POLB (0.43) NPC1RAB9AMAPTPOLBHPGD
SCHEMBL1154027 0.79 NPC1 (0.36) NPC1RAB9AMAPTPOLBHPGD
SCHEMBL1153852 0.77 CASP1 (0.35) NPC1RAB9AMAPTPOLBHPGD
SCHEMBL1153294 0.77 MAPT (0.34) NPC1RAB9AMAPTPOLBHPGD
SCHEMBL4338626 0.76 HPGD (0.40) NPC1RAB9AMAPTPOLBHPGD

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 NPC1 3582/4885RAB9A 1472/4885MAPT 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.