Sugi Predict

Sugi Predict / Compounds / SCHEMBL22764032

SCHEMBL22764032

SCHEMBL22764032

CC(=O)N(C)CC(O)c1ccc2c(c1)OC(C)(C)O2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 4/20 0.45
▸ ALOX15 P16050 3/20 0.37
▸ ALOX12 P18054 1/20 0.37
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ HPGD P15428 3/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33
▸ ADRB2 P07550 3/20 0.32
▸ ADRB3 P13945 3/20 0.32
▸ ADRB1 P08588 1/20 0.32
▸ ADRA2A P08913 1/20 0.32

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
SCHEMBL9436979 0.79 AOC3 (0.59) AOC3SMN1; SMN2HPGDMEN1KMT2A
SCHEMBL22764035 0.78 NPC1 (0.51) ALOX15ALOX12SMN1; SMN2HPGDNPC1
SCHEMBL21709172 0.76 BLM (0.47) AOC3ALOX15ALOX12HPGDTSHR
SCHEMBL21708851 0.76 AOC3 (0.40) AOC3ALOX15ALOX12CYP1A2TSHR
SCHEMBL22763955 0.73 CTNNB1 (0.42) ALOX15ALOX12SMN1; SMN2HPGDNPC1
SCHEMBL328574 0.73 TDP1 (0.51) ALOX15ALOX12SMN1; SMN2HPGDCYP1A2
SCHEMBL9436977 0.73 AOC3 (0.43) AOC3SMN1; SMN2MEN1KMT2APTGS1
SCHEMBL9141282 0.72 ALOX15 (0.50) AOC3ALOX15ALOX12SMN1; SMN2HPGD
SCHEMBL12238827 0.71 TAAR1 (0.47) AOC3ALOX15SMN1; SMN2CYP1A2CYP2C9
SCHEMBL29633156 0.71 TAAR1 (0.47) AOC3ALOX15SMN1; SMN2CYP1A2CYP2C9

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 AOC3 609/4885ALOX15 435/4885ALOX12 331/4885
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 AOC3 609/4885ALOX15 435/4885ALOX12 331/4885

“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.