SCHEMBL18529211

SCHEMBL18529211

CC1(O)OC(=O)C=C1c1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.43
ALDH1A1 P00352 4/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 3/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 2/20 0.33
HSD11B1 P28845 1/20 0.32
NQO2 P16083 1/20 0.32
SLC6A3 Q01959 2/20 0.31
PGR P06401 1/20 0.31
PRKCZ Q05513 1/20 0.31
PTPRC P08575 1/20 0.31
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 2/20 0.30
POLB P06746 1/20 0.30

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
SCHEMBL18530070 0.83 ALDH1A1 (0.43) PTGS2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL28999742 0.83 PTGS2 (0.43) PTGS2ALDH1A1TSHRNQO2SLC6A3
SCHEMBL18713910 0.82 SMN1; SMN2 (0.40) PTGS2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL4651083 0.82 SMN1; SMN2 (0.40) PTGS2ALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL2886215 0.80 HPGD (0.49) ALDH1A1KDM4EHPGDMAPTNPSR1
SCHEMBL30762808 0.73 CA1 (0.37) ALDH1A1L3MBTL1MAPTTSHRPOLB
SCHEMBL18529143 0.69 FPR2 (0.35) PTGS2ALDH1A1LMNAKDM4EHPGD
SCHEMBL18543665 0.67 CYP19A1 (0.39) PTGS2ALDH1A1LMNAKDM4EHPGD
SCHEMBL30762781 0.67 HCAR2 (0.38) ALDH1A1L3MBTL1MAPTTSHRHSD11B1
SCHEMBL18529189 0.67 HCAR2 (0.38) ALDH1A1L3MBTL1MAPTTSHRHSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107848968-B Process for preparing lactams from glyoxylic acid 荷兰联合利华有限公司 2021-06-18 CN disclosed
EP-3337785-B1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID UNILEVER PLC (GB) 2020-03-18 EP disclosed
EP-3337785-B1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID UNILEVER PLC (GB) 2020-03-18 EP disclosed
US-10377707-B2 Process for the preparation of lactams from glyoxalic acid CONOPCO INC. (US) 2019-08-13 US disclosed
US-10377707-B2 Process for the preparation of lactams from glyoxalic acid CONOPCO INC. (US) 2019-08-13 US disclosed
US-20180237388-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYCOXYLIC ACID Conopco, Inc., a/b/a UNILEVER (US) 2018-08-23 US disclosed
EP-3337785-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID Unilever PLC (GB) 2018-06-27 EP disclosed
WO-2017029104-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID UNILEVER PLC (GB) 2017-02-23 WO disclosed
WO-2017029104-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYOXYLIC ACID UNILEVER PLC (GB) 2017-02-23 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 (2 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-10377707-B2 Process for the preparation of lactams from glyoxalic acid GLO1, PGLS, GRHPR PTGS2 929/4885ALDH1A1 2836/4885LMNA 1198/4885
US-20180237388-A1 PROCESS FOR THE PREPARATION OF LACTAMS FROM GLYCOXYLIC ACID PGLS, MGAM, GLA PTGS2 1875/4885ALDH1A1 3248/4885LMNA 935/4885

“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.