SCHEMBL4344237

SCHEMBL4344237

O=C(CC(=O)N[C@H](c1cccc2ccccc12)C(O)(Cc1ccccc1)Cc1ccccc1)N[C@H](c1cccc2ccccc12)C(O)(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
EPHX2 P34913 2/20 0.44
ACP3 P15309 3/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
METAP2 P50579 1/20 0.42
METAP1 P53582 1/20 0.42
MMP8 P22894 1/20 0.41
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
PTGER4 P35408 1/20 0.40
KDM4E B2RXH2 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL808643 1.00 LMNA (0.45) LMNAGAAEPHX2ACP3ALDH1A1
SCHEMBL4336557 0.90 LMNA (0.46) LMNAGAAEPHX2ACP3ALDH1A1
SCHEMBL808757 0.90 LMNA (0.42) LMNAGAAEPHX2ALDH1A1MEN1
SCHEMBL808801 0.89 LMNA (0.44) LMNAGAAEPHX2ALDH1A1MEN1
SCHEMBL2785827 0.88 PTGER4 (0.41) LMNAGAAALDH1A1MEN1KMT2A
SCHEMBL2787996 0.87 CASR (0.45) LMNAGAAACP3ALDH1A1CYP2C9
SCHEMBL809241 0.87 PTPN1 (0.47) GAAALDH1A1MEN1KMT2AHPGD
SCHEMBL4332587 0.86 MMP8 (0.46) LMNAGAAEPHX2ACP3ALDH1A1
SCHEMBL808696 0.86 MMP8 (0.46) LMNAGAAEPHX2ACP3ALDH1A1
SCHEMBL808550 0.85 ALDH1A1 (0.45) LMNAGAAEPHX2ALDH1A1CYP2C9

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 LMNA 193/4885GAA 2869/4885EPHX2 1937/4885

“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.