SCHEMBL4336644

SCHEMBL4336644

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 7/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
GAA P10253 1/20 0.37
ALPL P05186 1/20 0.37
PTBP1 P26599 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
KIF11 P52732 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL4338618 0.86 HPGD (0.41) NPC1MAPTRAB9AHPGDMEN1
SCHEMBL4340501 0.84 CYP2D6 (0.46) POLBNPC1MAPTRAB9AMEN1
SCHEMBL4342118 0.83 HPGD (0.41) POLBNPC1MAPTRAB9AHPGD
SCHEMBL4335412 0.82 ALDH1A1 (0.47) MAPTALDH1A1LMNAHTTNPSR1
SCHEMBL4338626 0.82 HPGD (0.40) POLBNPC1MAPTRAB9AHPGD
SCHEMBL4350983 0.81 MAPT (0.40) NPC1MAPTRAB9AHPGDMEN1
SCHEMBL4335656 0.80 NPC1 (0.42) POLBNPC1MAPTRAB9AHPGD
SCHEMBL1153715 0.78 HPGD (0.36) NPC1MAPTRAB9AHPGDMEN1
SCHEMBL4341509 0.76 LMNA (0.49) HPGDMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL1153576 0.75 CASP1 (0.37) POLBNPC1MAPTRAB9AHPGD

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 POLB 1550/4885NPC1 3582/4885MAPT 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.