SCHEMBL22764030

SCHEMBL22764030

CC1(C)OCc2cc(C(O)CN3C(=O)CCC3=O)ccc2O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ADRB2 P07550 1/20 0.33
LMNA P02545 2/20 0.33
MAPK1 P28482 1/20 0.33
CXCR3 P49682 10/20 0.33
POLB P06746 1/20 0.32
KCNJ1 P48048 2/20 0.32
ALDH1A1 P00352 2/20 0.32
GRIN2B Q13224 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL22763936 1.00 TSHR (0.34) TSHRMEN1KMT2AADRB2LMNA
SCHEMBL22764034 0.84 TSHR (0.38) TSHRMEN1KMT2ALMNAMAPK1
SCHEMBL1205580 0.79 NFKB1 (0.41) TSHRMEN1KMT2AADRB2LMNA
SCHEMBL828863 0.79 ADRB2 (0.38) ADRB2
SCHEMBL17651818 0.79 ADRB2 (0.38) TSHRADRB2
SCHEMBL1204929 0.79 NFKB1 (0.41) TSHRMEN1KMT2AADRB2LMNA
SCHEMBL2012341 0.79 NFKB1 (0.41) TSHRMEN1KMT2AADRB2LMNA
SCHEMBL2569901 0.79 ADRB2 (0.38) ADRB2
SCHEMBL9574119 0.77 ADRB2 (0.36) ADRB2
SCHEMBL25214019 0.76 ALDH1A1 (0.46) MEN1KMT2AADRB2LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11053227-B2 Process for preparing intermediates for the synthesis of optically active beta-amino alcohols by enzymatic reduction and novel synthesis intermediates OLON S.P.A. (IT) 2021-07-06 US disclosed
US-20200385366-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BY ENZYMATIC REDUCTION AND NOVEL SYNTHESIS INTERMEDIATES OLON S.P.A. (IT) 2020-12-10 US 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 (2 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-20200385366-A1 PROCESS FOR PREPARING INTERMEDIATES FOR THE SYNTHESIS OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS BY ENZYMATIC REDUCTION AND NOVEL SYNTHESIS INTERMEDIATES ADH1A, ADH1C, ADH5 TSHR 3858/4885MEN1 2751/4885KMT2A 1774/4885
US-11053227-B2 Process for preparing intermediates for the synthesis of optically active beta-amino alcohols by enzymatic reduction and novel synthesis intermediates ADH1A, ADH1C, ADH5 TSHR 3858/4885MEN1 2751/4885KMT2A 1774/4885

“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.