SCHEMBL4626897

SCHEMBL4626897

CC(CO)NCC(O)c1ccc(O)c(O)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.73
ADRB2 P07550 8/20 0.73
TDP1 Q9NUW8 8/20 0.73
KDM4E B2RXH2 8/20 0.73
HSD17B10 Q99714 6/20 0.73
TSHR P16473 5/20 0.73
ADRB1 P08588 4/20 0.73
MAPK1 P28482 4/20 0.73
MEN1 O00255 4/20 0.73
KMT2A Q03164 4/20 0.73
CYP1A2 P05177 4/20 0.73
HIF1A Q16665 4/20 0.73
ADRB3 P13945 3/20 0.73
MTOR P42345 3/20 0.73
CYP3A4 P08684 3/20 0.73
NFKB1 P19838 3/20 0.73
ALDH1A1 P00352 2/20 0.73
ADORA3 P0DMS8 2/20 0.73
DRD2 P14416 2/20 0.73
ADRA1D P25100 2/20 0.73

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
Hydrochloric Acid SCHEMBL4387242 0.86 MAPT (0.74) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL4627996 0.85 ADRB2 (0.54) MAPTADRB2TDP1KDM4EHSD17B10
Levisoprenaline SCHEMBL29620666 0.85 MAPT (1.00) MAPTADRB2TDP1KDM4EHSD17B10
Isoproterenol SCHEMBL29519146 0.85 MAPT (1.00) MAPTADRB2TDP1KDM4EHSD17B10
Isoproterenol SCHEMBL29386243 0.85 MAPT (1.00) MAPTADRB2TDP1KDM4EHSD17B10
Isoproterenol SCHEMBL3253794 0.85 MAPT (1.00) MAPTADRB2TDP1KDM4EHSD17B10
Isoproterenol SCHEMBL4166 0.85 MAPT (1.00) MAPTADRB2TDP1KDM4EHSD17B10
Isoproterenol SCHEMBL4165 0.85 MAPT (1.00) MAPTADRB2TDP1KDM4EHSD17B10
Levisoprenaline SCHEMBL250806 0.85 MAPT (1.00) MAPTADRB2TDP1KDM4EHSD17B10
SCHEMBL4882170 0.84 SLC22A3 (0.77) MAPTADRB2TDP1KDM4EHSD17B10

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-20080306162-A1 Treatment of Inflammatory Disorders and Pain SOSEI R&D LTD. (GB) 2008-12-11 US disclosed
EP-1896393-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN Sosei R&D Ltd. (GB) 2008-03-12 EP disclosed
WO-2007003896-A1 THE TREATMENT OF INFLAMMATORY DISORDERS AND PAIN SOSEI R & D LTD. (GB) 2007-01-11 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-20080306162-A1 Treatment of Inflammatory Disorders and Pain HRH3, OPRL1, HRH2 MAPT 4250/4885ADRB2 131/4885TDP1 4471/4885

“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.