SCHEMBL4338618

SCHEMBL4338618

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 3/20 0.39
GAA P10253 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35
KIF11 P52732 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL4336644 0.86 POLB (0.43) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4350983 0.84 MAPT (0.40) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4339768 0.83 CYP2D6 (0.44) SMN1; SMN2MEN1KMT2AMAPTNPC1
SCHEMBL4334561 0.82 HPGD (0.39) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4344281 0.82 NPC1 (0.41) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4338684 0.81 MAPT (0.45) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1153715 0.80 HPGD (0.36) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL4343680 0.80 ANPEP (0.40) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1153576 0.78 CASP1 (0.37) HPGDSMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1153031 0.78 KEAP1 (0.35) 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.