SCHEMBL16367180

SCHEMBL16367180

[2H]C([2H])(c1ccc(O)c(O)c1)[C@]([2H])(N)C(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.54
HSD17B10 Q99714 8/20 0.54
ALOX15 P16050 8/20 0.54
TDP1 Q9NUW8 7/20 0.54
HIF1A Q16665 6/20 0.54
RECQL P46063 6/20 0.54
USP2 O75604 3/20 0.54
PTGS2 P35354 3/20 0.54
PTGS1 P23219 3/20 0.54
ADORA3 P0DMS8 2/20 0.54
HTR2A P28223 2/20 0.54
EGFR P00533 2/20 0.54
FYN P06241 2/20 0.54
LCK P06239 1/20 0.54
SLC7A5 Q01650 1/20 0.54
MAPT P10636 7/20 0.45
HPGD P15428 6/20 0.45
ALDH1A1 P00352 6/20 0.45
BLM P54132 5/20 0.45
LMNA P02545 5/20 0.45

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
SCHEMBL19361106 1.00 KDM4E (0.54) KDM4EHSD17B10ALOX15TDP1HIF1A
SCHEMBL16367227 0.89 KDM4E (0.53) KDM4EHSD17B10ALOX15TDP1HIF1A
SCHEMBL16367206 0.89 KDM4E (0.53) KDM4EHSD17B10ALOX15TDP1HIF1A
SCHEMBL19361105 0.89 KDM4E (0.53) KDM4EHSD17B10ALOX15TDP1HIF1A
SCHEMBL19361104 0.89 KDM4E (0.53) KDM4EHSD17B10ALOX15TDP1HIF1A
SCHEMBL18159868 0.89 KDM4E (0.53) KDM4EHSD17B10ALOX15TDP1HIF1A
Levodopa SCHEMBL18960581 0.85 TDP1 (0.60) KDM4EHSD17B10ALOX15TDP1HIF1A
Levodopa SCHEMBL18960587 0.85 TDP1 (0.60) KDM4EHSD17B10ALOX15TDP1HIF1A
Levodopa SCHEMBL2688586 0.85 TDP1 (0.60) KDM4EHSD17B10ALOX15TDP1HIF1A
Melevodopa SCHEMBL28364800 0.83 LCK (0.48) KDM4EHSD17B10ALOX15TDP1HIF1A

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-20170182024-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF PARKINSON'S DISEASE TEVA PHARMACEUTICALS INTERNATIONAL GMBH (CH) 2017-06-29 US disclosed
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY AUSPEX PHARMACEUTICALS, INC. (US) 2016-10-20 US disclosed
US-20150011630-A1 DIHYDROXYPHENYL NEUROTRANSMITTER COMPOUNDS, COMPOSITIONS AND METHODS AUSPEX PHARMACEUTICALS, INC. 2015-01-08 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 (3 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-20150011630-A1 DIHYDROXYPHENYL NEUROTRANSMITTER COMPOUNDS, COMPOSITIONS AND METHODS SLC18A2, COMT, SLC6A2 KDM4E 856/4885HSD17B10 812/4885ALOX15 1153/4885
US-20170182024-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF PARKINSON'S DISEASE PRLHR, PARK7, NLN KDM4E 4345/4885HSD17B10 3746/4885ALOX15 540/4885
US-20160303110-A1 METHODS OF TREATING ABNORMAL MUSCULAR ACTIVITY PYGM, TNNC1, MUSK KDM4E 3220/4885HSD17B10 1169/4885ALOX15 3299/4885

“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.