SCHEMBL4337880

SCHEMBL4337880

CC(C)[C@@H](NC(=O)CC(=O)N[C@H](C(C)C)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
ALDH1A1 P00352 3/20 0.44
CYP2C19 P33261 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
GPR139 Q6DWJ6 3/20 0.40
MAPT P10636 2/20 0.40
TTR P02766 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP1A2 P05177 1/20 0.39
KCNA5 P22460 1/20 0.38
HPGD P15428 1/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL4345728 0.86 ALDH1A1 (0.42) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1
SCHEMBL4342118 0.85 HPGD (0.41) ALDH1A1MEN1KMT2AMAPTL3MBTL1
SCHEMBL4340501 0.83 CYP2D6 (0.46) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1
SCHEMBL4344217 0.82 HDAC3 (0.42) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1
SCHEMBL4342085 0.81 ALDH1A1 (0.44) ALDH1A1HSD17B10KMT2AMAPTHPGD
SCHEMBL4332569 0.80 CYP2C19 (0.44) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1
SCHEMBL4333073 0.79 ALDH1A1 (0.44) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1
SCHEMBL1153795 0.78 ALDH1A1 (0.40) CYP2D6ALDH1A1CYP2C19HSD17B10MEN1
SCHEMBL17236153 0.78 CTSK (0.44) ATM
SCHEMBL15875090 0.78 CTSK (0.44) ATM

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 CYP2D6 523/4885ALDH1A1 1303/4885CYP2C19 1911/4885

“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.