SCHEMBL4270797

SCHEMBL4270797

CC[C@H](NC)[C@@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.58
CYP3A4 P08684 3/20 0.57
CYP2D6 P10635 3/20 0.57
ADRA2C P18825 2/20 0.57
CHRM2 P08172 1/20 0.57
ADRA1A P35348 1/20 0.57
RGS12 O14924 1/20 0.57
GLA P06280 1/20 0.57
CYP2C9 P11712 1/20 0.57
PKM P14618 1/20 0.57
ALOX15 P16050 1/20 0.57
TSHR P16473 1/20 0.57
ALOX12 P18054 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR2A P28223 1/20 0.57
CYP2C19 P33261 1/20 0.57
THPO P40225 1/20 0.57
GNAI1 P63096 1/20 0.57
HSD17B10 Q99714 1/20 0.57
KMT2A Q03164 3/20 0.55

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
SCHEMBL5174606 1.00 AOC3 (0.58) AOC3CYP3A4CYP2D6ADRA2CCHRM2
SCHEMBL30687874 1.00 AOC3 (0.58) AOC3CYP3A4CYP2D6ADRA2CCHRM2
SCHEMBL14065371 1.00 AOC3 (0.58) AOC3CYP3A4CYP2D6ADRA2CCHRM2
SCHEMBL21278186 0.85 AOC3 (0.74) AOC3CYP3A4CYP2D6ADRA2CCHRM2
SCHEMBL12798989 0.85 AOC3 (0.74) AOC3CYP3A4CYP2D6ADRA2CCHRM2
SCHEMBL10282533 0.84 CYP3A4 (0.57) AOC3CYP3A4CYP2D6ADRA2CCHRM2
SCHEMBL13502645 0.84 CYP3A4 (0.57) AOC3CYP3A4CYP2D6ADRA2CCHRM2
Hydrochloric Acid SCHEMBL11336147 0.82 KMT2A (0.58) AOC3CYP3A4CYP2D6ADRA2CCHRM2
SCHEMBL5270451 0.82 LMNA (0.53) AOC3CYP3A4CYP2D6CYP2C19KMT2A
SCHEMBL13649749 0.79 CYP3A4 (0.52) AOC3CYP3A4CYP2D6ADRA2CCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090042275-A1 NOVEL PLASMIDS AND UTILIZATION THEREOF DAIICHI FINE CHEMICAL CO., LTD. (JP) 2009-02-12 US disclosed
EP-1273665-B1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS DAIICHI FINE CHEM CO LTD (JP) 2007-05-16 EP disclosed
US-6835559-B2 Process for the production of optically active β-amino alcohols DAIICHI FINE CHEMICAL CO., LTD. (JP) 2004-12-28 US disclosed
US-20040091981-A1 Process for the production of optically active beta-amino alcohols DAIICHI FINE CHEMICAL CO., LTD. (JP) 2004-05-13 US disclosed
EP-1273665-A1 PROCESS FOR THE PRODUCTION OF OPTICALLY ACTIVE BETA-AMINO ALCOHOLS Daiichi Fine Chemical Co., Ltd. (JP) 2003-01-08 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-20090042275-A1 NOVEL PLASMIDS AND UTILIZATION THEREOF COASY, BLVRB, TKT AOC3 4225/4885CYP3A4 1436/4885CYP2D6 661/4885

“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.