SCHEMBL4200437

SCHEMBL4200437

[2H]C(N)(CCc1ccc(O)c(O)c1)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.57
TDP1 Q9NUW8 4/20 0.57
ALOX15 P16050 4/20 0.57
HIF1A Q16665 4/20 0.57
HSD17B10 Q99714 4/20 0.57
RECQL P46063 3/20 0.57
PTGS1 P23219 3/20 0.57
SLC7A5 Q01650 3/20 0.57
LCK P06239 2/20 0.57
USP2 O75604 1/20 0.57
EGFR P00533 1/20 0.57
FYN P06241 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
HTR2A P28223 1/20 0.57
PTGS2 P35354 1/20 0.57
KDM6B O15054 1/20 0.50
MAPT P10636 5/20 0.49
ALDH1A1 P00352 3/20 0.49
ADRA2A P08913 2/20 0.49
DRD2 P14416 2/20 0.49

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
SCHEMBL4204466 0.91 ALOX15 (0.54) KDM4ETDP1ALOX15HIF1AHSD17B10
SCHEMBL4200440 0.86 KDM4E (0.55) KDM4ETDP1ALOX15HIF1AHSD17B10
SCHEMBL2687611 0.86 KDM4E (0.55) KDM4ETDP1ALOX15HIF1AHSD17B10
SCHEMBL17363255 0.86 KDM4E (0.55) KDM4ETDP1ALOX15HIF1AHSD17B10
SCHEMBL5287328 0.83 KDM4E (0.70) KDM4ETDP1ALOX15HIF1AHSD17B10
Levodopa SCHEMBL18960581 0.83 TDP1 (0.60) KDM4ETDP1ALOX15HIF1AHSD17B10
Levodopa SCHEMBL2688586 0.83 TDP1 (0.60) KDM4ETDP1ALOX15HIF1AHSD17B10
Levodopa SCHEMBL18960587 0.83 TDP1 (0.60) KDM4ETDP1ALOX15HIF1AHSD17B10
Levodopa SCHEMBL4200978 0.83 KDM4E (0.70) KDM4ETDP1ALOX15HIF1AHSD17B10
SCHEMBL4196089 0.83 ALOX15 (0.53) KDM4ETDP1ALOX15HIF1AHSD17B10

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-RE46555-E1 Deuterated catecholamine derivatives and medicaments comprising said compounds TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-09-19 US disclosed
US-8247603-B2 Deuterated catecholamine derivatives and medicaments comprising said compounds BIRDS PHARMA GMBH BEROLINA INNOVATIVE (DE) 2012-08-21 US disclosed
US-20090018191-A1 Deuterated Catecholamine Derivatives and Medicaments Comprising Said Compounds TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2009-01-15 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 (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-20090018191-A1 Deuterated Catecholamine Derivatives and Medicaments Comprising Said Compounds COMT, DDT, TYR KDM4E 1504/4885TDP1 346/4885ALOX15 3212/4885

“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.