SCHEMBL5317090

SCHEMBL5317090

COC(=O)C(c1ccc(OC)cc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.54
AKR1C2 P52895 1/20 0.54
KMT2A Q03164 2/20 0.53
RAB9A P51151 2/20 0.51
MEN1 O00255 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
ACHE P22303 1/20 0.49
ALOX5 P09917 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
ACACB O00763 1/20 0.46
HTT P42858 1/20 0.46
AOC3 Q16853 2/20 0.46
PARP1 P09874 1/20 0.46
PARP10 Q53GL7 1/20 0.46
PARP2 Q9UGN5 1/20 0.46
PARP4 Q9UKK3 1/20 0.46
NPC1 O15118 1/20 0.45
CYP1A2 P05177 1/20 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
SCHEMBL11396318 0.86 AKR1C3 (0.51) AKR1C3AKR1C2KMT2ARAB9AMEN1
SCHEMBL2422613 0.83 ESR1 (0.57) AKR1C3AKR1C2KMT2ACA1CA2
SCHEMBL8984177 0.83 KMT2A (0.55) AKR1C3AKR1C2KMT2AACHEALOX5
SCHEMBL9818100 0.83 AKR1C3 (0.75) AKR1C3AKR1C2KMT2ARAB9AMEN1
SCHEMBL5516974 0.83 ESR1 (0.57) AKR1C3AKR1C2KMT2ACA1CA2
SCHEMBL17084124 0.83 KMT2A (0.55) AKR1C3AKR1C2KMT2AACHEALOX5
SCHEMBL317875 0.83 AKR1C3 (0.75) AKR1C3AKR1C2KMT2ARAB9AMEN1
SCHEMBL5510967 0.83 ESR1 (0.57) AKR1C3AKR1C2KMT2ACA1CA2
SCHEMBL22838087 0.83 KMT2A (0.55) AKR1C3AKR1C2KMT2ARAB9AMEN1
SCHEMBL10707144 0.83 KMT2A (0.47) AKR1C3AKR1C2KMT2AMEN1ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240383893-A1 Hydroxamic Acid Compound Having ENPP1 Inhibitory Activity and Use Thereof HAIHE BIOPHARMA CO., LTD. (CN) 2024-11-21 US disclosed
EP-4400493-A1 HYDROXAMIC ACID COMPOUND HAVING ENPP1 INHIBITORY ACTIVITY AND USE THEREOF Haihe Biopharma Co., Ltd. (CN) 2024-07-17 EP disclosed
CN-117980293-A Hydroxamic acid compound with ENPP1 inhibitory activity and application thereof 上海海和药物研究开发股份有限公司 2024-05-03 CN disclosed
US-8367666-B2 3-carbamoyl-2-pyridone derivatives SHIONOGI & CO., LTD. (JP) 2013-02-05 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 US disclosed
EP-1838654-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS Phoenix Chemicals Limited (GB) 2007-10-03 EP disclosed
WO-2006075177-A1 PROCESS FOR THE MANUFACTURE OF SUBSTITUTED PROPIONIC ACIDS PHOENIX CHEMICALS LTD. (GB) 2006-07-20 WO disclosed
EP-0151702-A2 Alpha-hydroxyketone acetals SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1985-08-21 EP disclosed
EP-0048136-A2 Process for preparing alpha-aromatic group substituted alkanoic acids or esters thereof SYNTEX PHARMACEUTICALS INTERNATIONAL LIMITED (BM) 1982-03-24 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-20240383893-A1 Hydroxamic Acid Compound Having ENPP1 Inhibitory Activity and Use Thereof ENPP1, ENPP2, ENPP3 AKR1C3 3859/4885AKR1C2 3060/4885KMT2A 2979/4885

“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.