SCHEMBL9994014

SCHEMBL9994014

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.59
LMNA P02545 6/20 0.46
HPGD P15428 2/20 0.46
MAPK1 P28482 1/20 0.45
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
ADRA2C P18825 2/20 0.44
CYP2D6 P10635 2/20 0.44
CHRM2 P08172 1/20 0.44
ADRA1A P35348 1/20 0.44
RGS12 O14924 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
PKM P14618 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
NFKB1 P19838 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL9994018 1.00 AOC3 (0.59) AOC3LMNAHPGDMAPK1KEAP1
SCHEMBL28707494 0.87 LMNA (0.52) AOC3LMNAHPGDMAPK1KEAP1
SCHEMBL19658444 0.84 AOC3 (0.55) AOC3LMNAHPGDADRA2CCYP2D6
SCHEMBL17391487 0.82 HDAC4 (0.43) AOC3LMNACYP2D6CYP3A4CYP2C9
SCHEMBL17391428 0.82 HDAC4 (0.43) AOC3LMNACYP2D6CYP3A4CYP2C9
SCHEMBL17391486 0.82 HDAC4 (0.43) AOC3LMNACYP2D6CYP3A4CYP2C9
SCHEMBL17391429 0.82 HDAC4 (0.43) AOC3LMNACYP2D6CYP3A4CYP2C9
SCHEMBL16965686 0.82 KEAP1 (0.50) LMNAHPGDMAPK1KEAP1NFE2L2
SCHEMBL1952124 0.82 KEAP1 (0.50) LMNAHPGDMAPK1KEAP1NFE2L2
SCHEMBL571797 0.82 LMNA (0.48) AOC3LMNAHPGDMAPK1KEAP1

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-8987504-B2 Aminohydroxylation of alkenes VICTORIA LINK LIMITED (NZ) 2015-03-24 US disclosed
US-20130274479-A1 AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2013-10-17 US disclosed
WO-2011159177-A1 IMPROVED AMINOHYDROXYLATION OF ALKENES INDUSTRIAL RESEARCH LIMITED (NZ) 2011-12-22 WO 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-20130274479-A1 AMINOHYDROXYLATION OF ALKENES ALKBH3, ALKBH1, ALKBH2 AOC3 83/4885LMNA 2763/4885HPGD 642/4885

“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.