SCHEMBL3307119

SCHEMBL3307119

COC(=O)C(=O)c1ccccc1CN(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.48
SLC6A4 P31645 4/20 0.48
SLC6A3 Q01959 3/20 0.48
ALDH1A1 P00352 3/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
TSPO P30536 2/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL8102314 0.84 TSHR (0.47) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL3965550 0.81 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL8101821 0.80 HIF1A (0.57) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL7487933 0.79 ALDH1A1 (0.46) ALDH1A1LMNATSHRKMT2AHPGD
SCHEMBL3306441 0.79 ALDH1A1 (0.42) ALDH1A1LMNATSHRKMT2AHPGD
SCHEMBL8540431 0.79 PRMT5 (0.43) ALDH1A1LMNATSHRKMT2AHPGD
SCHEMBL30463198 0.79 ALDH1A1 (0.46) ALDH1A1LMNATSHRKMT2AHPGD
SCHEMBL8102937 0.78 TSHR (0.54) SLC6A2SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL1421554 0.77 FOLH1 (0.58) SLC6A2SLC6A4SLC6A3ALDH1A1TSHR
SCHEMBL9776807 0.77 ALDH1A1 (0.47) ALDH1A1LMNATSHRKMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113778-A1 PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2010-05-06 US disclosed
US-6124493-A Process for the preparation of o-chloromethyl-phenylglyoxylic acid derivatives NOVARTIS FINANCE CORPORATION (US) 2000-09-26 US disclosed
EP-0782982-B1 Process for the preparation of o-chloro-methyl-phenylglyoxylic acid derivatives NOVARTIS AG (CH) 2000-05-17 EP disclosed
US-5756811-A Process for the preparation of o-chloromethyl-phenylglyoxylic acid derivatives NOVARTIS CORPORATION (US) 1998-05-26 US disclosed
EP-0782982-A1 Process for the preparation of o-chloro-methyl-phenylglyoxylic acid derivatives Novartis AG (CH) 1997-07-09 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-20100113778-A1 PROCESS FOR PREPARING O-CHLOROMETHYLPHENYLGLYOXYLIC ESTERS, IMPROVED PROCESS FOR PREPARING (E)-2-(2-CHLOROMETHYLPHENYL)-2-ALKOXIMINOACETIC ESTERS, AND NOVEL INTERMEDIATES FOR THEIR PREPARATION CYP4F12, GRHPR, CYP4F2 SLC6A2 3277/4885SLC6A4 1278/4885SLC6A3 4294/4885

“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.