SCHEMBL7096698

SCHEMBL7096698

CC(C)OC(=O)CC(=O)c1c[nH]c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.57
PBRM1 Q86U86 1/20 0.56
NR4A2 P43354 1/20 0.56
CREBBP Q92793 1/20 0.56
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 1/20 0.54
ADAM17 P78536 1/20 0.54
CTNNB1 P35222 3/20 0.53
WNT3A P56704 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
ALOX5 P09917 1/20 0.52
HPGD P15428 2/20 0.52
GPR84 Q9NQS5 1/20 0.51

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
SCHEMBL5162760 0.85 NR4A2 (0.67) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL29456920 0.85 NR4A2 (0.67) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL4813460 0.82 PKM (0.62) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL3262552 0.81 NR4A2 (0.69) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL5163293 0.81 LMNA (0.57) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL8464228 0.78 PBRM1 (0.61) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL6518029 0.77 ADAM17 (0.73) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL5222554 0.77 CTNNB1 (0.71) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL5161396 0.77 ADAM17 (0.59) LMNAPBRM1NR4A2CREBBPKMT2A
SCHEMBL3122183 0.76 ALDH1A1 (0.67) LMNAPBRM1NR4A2CREBBPKMT2A

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-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO LMNA 3165/4885PBRM1 1232/4885NR4A2 320/4885

“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.