SCHEMBL1224784

SCHEMBL1224784

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.62
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
AOC3 Q16853 1/20 0.56
NPY5R Q15761 11/20 0.55
NPY2R P49146 1/20 0.52
NOD2 Q9HC29 1/20 0.49
CHRM2 P08172 1/20 0.46
ADRA1A P35348 1/20 0.46
RGS12 O14924 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
ADRA2C P18825 1/20 0.46
NFKB1 P19838 1/20 0.46

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
SCHEMBL14008047 1.00 GAA (0.62) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14008048 1.00 GAA (0.62) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL4650173 1.00 GAA (0.62) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL16901643 0.82 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14393866 0.82 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14008046 0.82 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14393690 0.82 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14008045 0.82 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL4649609 0.82 GAA (0.66) GAAKDM4EALDH1A1AOC3NPY5R
SCHEMBL14338232 0.81 GAA (0.64) GAAKDM4EALDH1A1AOC3NPY5R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2264000-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND USING RUTHENIUM COMPOUND NIPPON SODA CO (JP) 2016-05-11 EP disclosed
US-8207379-B2 Ruthenium compound and method for producing optically active aminoalcohol compound NIPPON SODA CO., LTD. (JP) 2012-06-26 US disclosed
US-20110028749-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND NIPPON SODA CO., LTD. (JP) 2011-02-03 US disclosed
EP-2264000-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND Nippon Soda Co., Ltd. (JP) 2010-12-22 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-20110028749-A1 RUTHENIUM COMPOUND AND METHOD FOR PRODUCING OPTICALLY ACTIVE AMINOALCOHOL COMPOUND PDHX, PKLR, RIOX2 GAA 2743/4885KDM4E 678/4885ALDH1A1 715/4885

“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.