SCHEMBL3989776

SCHEMBL3989776

O=C(CNc1ccc(O)cc1)OC(=O)CNc1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.45
CA2 P00918 3/20 0.45
ALDH1A1 P00352 4/20 0.42
MEN1 O00255 3/20 0.42
MAPT P10636 3/20 0.42
KMT2A Q03164 3/20 0.42
CYP1A1 P04798 2/20 0.42
PEPD P12955 1/20 0.42
CA12 O43570 1/20 0.42
BRD4 O60885 1/20 0.42
NR1I2 O75469 1/20 0.42
MB P02144 1/20 0.42
CA3 P07451 1/20 0.42
CYP3A4 P08684 1/20 0.42
RARG P13631 1/20 0.42
TSHR P16473 1/20 0.42
ALOX5AP P20292 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
NR1I3 Q14994 1/20 0.42

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
SCHEMBL1713162 0.86 CA1 (0.51) CA1CA2ALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL1143828 0.84 CA1 (0.50) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL11884077 0.84 CA1 (0.42) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL1372423 0.81 POLB (0.63) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL20594029 0.81 ALDH1A1 (0.47) ALDH1A1MEN1MAPTKMT2ATSHR
SCHEMBL16554941 0.80 POLB (0.43) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL1376178 0.80 CA1 (0.49) CA1CA2ALDH1A1MEN1MAPT
Hydrochloric Acid SCHEMBL3661595 0.80 POLB (0.61) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL9745182 0.78 CYP1A1 (0.52) CA1CA2ALDH1A1MEN1MAPT
SCHEMBL22354 0.78 CYP1A1 (0.52) CA1CA2ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7622577-B2 Processes for the preparation of cephalosporin derivatives CJ CHEILJEDANG CORPORATION (KR) 2009-11-24 US disclosed
US-20090221815-A1 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CJ CHEILJEDANG CORPORATION (KR) 2009-09-03 US disclosed
US-7544797-B2 Processes for the preparation of cephem derivatives CJ CHEILJEDANG CORPORATION (KR) 2009-06-09 US disclosed
EP-1678187-A4 PROCESSES FOR THE PREPARATION OF CEPHALOSPORIN DERIVATIVES CJ CORP (KR) 2007-06-13 EP disclosed
EP-1678186-A4 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CJ CORP (KR) 2007-04-25 EP disclosed
US-20070083042-A1 Processes for the preparation of cephalosporin derivatives CJ CORPORATION (KR) 2007-04-12 US disclosed
US-20070060747-A1 Processes for the preparation of cephem derivatives CJ CORPORATION (KR) 2007-03-15 US disclosed
EP-1678187-A1 PROCESSES FOR THE PREPARATION OF CEPHALOSPORIN DERIVATIVES CJ Corporation (KR) 2006-07-12 EP disclosed
EP-1678186-A1 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CJ Corporation (KR) 2006-07-12 EP disclosed
WO-2005042544-A1 PROCESSES FOR THE PREPARATION OF CEPHALOSPORIN DERIVATIVES CJ CORPORATION (KR) 2005-05-12 WO disclosed
WO-2005042543-A1 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CJ CORPORATION (KR) 2005-05-12 WO 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-20070060747-A1 Processes for the preparation of cephem derivatives CEP170, HAMP, NISCH CA1 2056/4885CA2 324/4885ALDH1A1 1991/4885
US-20070083042-A1 Processes for the preparation of cephalosporin derivatives ADH1C, HSD17B14, ADH1A CA1 2219/4885CA2 2577/4885ALDH1A1 39/4885
US-20090221815-A1 PROCESSES FOR THE PREPARATION OF CEPHEM DERIVATIVES CEP170, HAMP, NISCH CA1 2056/4885CA2 324/4885ALDH1A1 1991/4885

“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.