SCHEMBL4345905

SCHEMBL4345905

CC(C)(C(=O)NC(c1ccccc1)C1(O)CCCCC1)C(=O)NC(c1ccccc1)C1(O)CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 12/20 0.44
CHRM2 P08172 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM4 P08173 1/20 0.41
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 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
SCHEMBL4345901 1.00 MAPK1 (0.44) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4344881 0.96 MAPK1 (0.44) MAPK1LMNAMAPTCYP2C9TSHR
SCHEMBL4344886 0.96 MAPK1 (0.44) MAPK1LMNAMAPTCYP2C9TSHR
SCHEMBL4348894 0.84 MMP9 (0.40) TSHR
SCHEMBL4337782 0.83 MAPK1 (0.48) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4337778 0.83 MAPK1 (0.48) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4344903 0.81 MAPK1 (0.46) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL4344900 0.81 MAPK1 (0.46) MAPK1CHRM2CHRM1CHRM3CHRM4
SCHEMBL5461132 0.80 MMP9 (0.41) TSHR
SCHEMBL1153342 0.79 MAPK1 (0.46) MAPK1CHRM2CHRM1CHRM3CHRM4

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 MAPK1 1770/4885CHRM2 302/4885CHRM1 200/4885

“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.